2-(2-azanylbutoxy)ethanoyl-methyl-[1-[methyl-[1-(methylamino)-1-oxidanylidene-3-thiophen-2-yl-propan-2-yl]amino]-1-oxidanylidene-3-phenylmethoxy-propan-2-ylidene]azanium

Systemtic Name: 2-(2-azanylbutoxy)ethanoyl-methyl-[1-[methyl-[1-(methylamino)-1-oxidanylidene-3-thiophen-2-yl-propan-2-yl]amino]-1-oxidanylidene-3-phenylmethoxy-propan-2-ylidene]azanium Openeye Name: [2-(2-aminobutoxy)acetyl]-[1-(benzyloxymethyl)-2-[methyl-[2-(methylamino)-2-oxo-1-(2-thienylmethyl)ethyl]amino]-2-oxo-ethylidene]-methyl-ammonium CAS Name: [2-(2-aminobutoxy)-1-oxoethyl]-methyl-[1-[methyl-[1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]amino]-1-oxo-3-phenylmethoxypropan-2-ylidene]ammonium IUPAC Name: [2-(2-aminobutoxy)acetyl]-methyl-[1-[methyl-[1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]amino]-1-oxo-3-phenylmethoxypropan-2-ylidene]azanium Traditional Name: [2-(2-aminobutoxy)acetyl]-[1-(benzoxymethyl)-2-keto-2-[[2-keto-2-(methylamino)-1-(2-thenyl)ethyl]-methyl-amino]ethylidene]-methyl-ammonium Formula: C26H37N4O5S+ MolecularWeight: 517.66078

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COCC(=O)[N+](=C(COCC1=CC=CC=C1)C(=O)N(C)C(CC2=CC=CS2)C(=O)NC)C)N

Isomeric SMILES

CCC(COCC(=O)[N+](=C(COCC1=CC=CC=C1)C(=O)N(C)C(CC2=CC=CS2)C(=O)NC)C)N

InChI

InChI=1S/C26H36N4O5S/c1-5-20(27)16-35-18-24(31)29(3)23(17-34-15-19-10-7-6-8-11-19)26(33)30(4)22(25(32)28-2)14-21-12-9-13-36-21/h6-13,20,22H,5,14-18,27H2,1-4H3/p+1