(4-acetamidophenyl)methyl-[2-(dimethylazaniumyl)ethyl]-(phenylmethyl)azanium

Systemtic Name: (4-acetamidophenyl)methyl-[2-(dimethylazaniumyl)ethyl]-(phenylmethyl)azanium Openeye Name: (4-acetamidophenyl)methyl-benzyl-[2-(dimethylammonio)ethyl]ammonium CAS Name: (4-acetamidophenyl)methyl-[2-(dimethylammonio)ethyl]-(phenylmethyl)ammonium IUPAC Name: (4-acetamidophenyl)methyl-benzyl-[2-(dimethylazaniumyl)ethyl]azanium Traditional Name: (4-acetamidobenzyl)-benzyl-[2-(dimethylammonio)ethyl]ammonium Formula: C20H29N3O+2 MolecularWeight: 327.46376

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH+](CC[NH+](C)C)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH+](CC[NH+](C)C)CC2=CC=CC=C2

InChI

InChI=1S/C20H27N3O/c1-17(24)21-20-11-9-19(10-12-20)16-23(14-13-22(2)3)15-18-7-5-4-6-8-18/h4-12H,13-16H2,1-3H3,(H,21,24)/p+2