[4-(2-azanyl-2-methyl-propoxy)-2-methyl-3-oxidanylidene-butanoyl]-methyl-[1-(methylamino)-1-oxidanylidene-3-thiophen-2-yl-propan-2-yl]-phenylmethoxy-azanium

Systemtic Name: [4-(2-azanyl-2-methyl-propoxy)-2-methyl-3-oxidanylidene-butanoyl]-methyl-[1-(methylamino)-1-oxidanylidene-3-thiophen-2-yl-propan-2-yl]-phenylmethoxy-azanium Openeye Name: [4-(2-amino-2-methyl-propoxy)-2-methyl-3-oxo-butanoyl]-benzyloxy-methyl-[2-(methylamino)-2-oxo-1-(2-thienylmethyl)ethyl]ammonium CAS Name: [4-(2-amino-2-methylpropoxy)-2-methyl-1,3-dioxobutyl]-methyl-[1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]-phenylmethoxyammonium IUPAC Name: [4-(2-amino-2-methylpropoxy)-2-methyl-3-oxobutanoyl]-methyl-[1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]-phenylmethoxyazanium Traditional Name: [4-(2-amino-2-methyl-propoxy)-3-keto-2-methyl-butanoyl]-benzoxy-[2-keto-2-(methylamino)-1-(2-thenyl)ethyl]-methyl-ammonium Formula: C25H36N3O5S+ MolecularWeight: 490.63544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)COCC(C)(C)N)C(=O)[N+](C)(C(CC1=CC=CS1)C(=O)NC)OCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)COCC(C)(C)N)C(=O)[N+](C)(C(CC1=CC=CS1)C(=O)NC)OCC2=CC=CC=C2

InChI

InChI=1S/C25H35N3O5S/c1-18(22(29)16-32-17-25(2,3)26)24(31)28(5,33-15-19-10-7-6-8-11-19)21(23(30)27-4)14-20-12-9-13-34-20/h6-13,18,21H,14-17,26H2,1-5H3/p+1