2-(4-acetamidophenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(4-acetamidophenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(4-acetamidophenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(4-acetamidophenyl)-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(4-acetamidophenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(4-acetamidophenyl)-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CC(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CC(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

InChI

InChI=1S/C23H29N3O2/c1-18(27)25-22-11-9-19(10-12-22)15-23(28)24-16-20-7-3-4-8-21(20)17-26-13-5-2-6-14-26/h3-4,7-12H,2,5-6,13-17H2,1H3,(H,24,28)(H,25,27)/p+1