(3R)-3-[[methyl(4-phenylbutyl)sulfamoyl]amino]-4-(trimethylazaniumyl)butanoate

Systemtic Name: (3R)-3-[[methyl(4-phenylbutyl)sulfamoyl]amino]-4-(trimethylazaniumyl)butanoate Openeye Name: (3R)-3-[[methyl(4-phenylbutyl)sulfamoyl]amino]-4-(trimethylammonio)butanoate CAS Name: (3R)-3-[[methyl(4-phenylbutyl)sulfamoyl]amino]-4-(trimethylammonio)butanoate IUPAC Name: (3R)-3-[[methyl(4-phenylbutyl)sulfamoyl]amino]-4-(trimethylazaniumyl)butanoate Traditional Name: (3R)-3-[[methyl(4-phenylbutyl)sulfamoyl]amino]-4-(trimethylammonio)butyrate Formula: C18H31N3O4S MolecularWeight: 385.52144

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCC1=CC=CC=C1)S(=O)(=O)NC(CC(=O)[O-])C[N+](C)(C)C

Isomeric SMILES

CN(CCCCC1=CC=CC=C1)S(=O)(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C

InChI

InChI=1S/C18H31N3O4S/c1-20(13-9-8-12-16-10-6-5-7-11-16)26(24,25)19-17(14-18(22)23)15-21(2,3)4/h5-7,10-11,17,19H,8-9,12-15H2,1-4H3/t17-/m1/s1