(4-acetamidophenyl)methyl-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]azanium

Systemtic Name: (4-acetamidophenyl)methyl-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]azanium Openeye Name: (4-acetamidophenyl)methyl-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ammonium CAS Name: (4-acetamidophenyl)methyl-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]ammonium IUPAC Name: (4-acetamidophenyl)methyl-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]azanium Traditional Name: (4-acetamidobenzyl)-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]ammonium Formula: C21H29N3O+2 MolecularWeight: 339.47446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH2+]CC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH2+]CC2=CC=CC=C2C[NH+]3CCCC3

InChI

InChI=1S/C21H27N3O/c1-17(25)23-21-10-8-18(9-11-21)14-22-15-19-6-2-3-7-20(19)16-24-12-4-5-13-24/h2-3,6-11,22H,4-5,12-16H2,1H3,(H,23,25)/p+2