methyl-[2-oxidanylidene-2-[(phenylmethyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]ethyl]-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium

Systemtic Name: methyl-[2-oxidanylidene-2-[(phenylmethyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]ethyl]-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium Openeye Name: [2-[benzyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]-[2-(isopropylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: methyl-[2-oxo-2-[(phenylmethyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]ammonium IUPAC Name: [2-[benzyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium Traditional Name: [2-[benzyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl]-[2-(isopropylamino)-2-keto-ethyl]-methyl-ammonium Formula: C22H31N4O2S+ MolecularWeight: 415.57214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+](C)CC(=O)N(CC1=CC=CC=C1)C2=NC3=C(S2)CCCC3

Isomeric SMILES

CC(C)NC(=O)C[NH+](C)CC(=O)N(CC1=CC=CC=C1)C2=NC3=C(S2)CCCC3

InChI

InChI=1S/C22H30N4O2S/c1-16(2)23-20(27)14-25(3)15-21(28)26(13-17-9-5-4-6-10-17)22-24-18-11-7-8-12-19(18)29-22/h4-6,9-10,16H,7-8,11-15H2,1-3H3,(H,23,27)/p+1