N-[(3-methylphenyl)methyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-[(3-methylphenyl)methyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-(m-tolylmethyl)-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-[(3-methylphenyl)methyl]-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-[(3-methylphenyl)methyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-(3-methylbenzyl)-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C21H27N2O+ MolecularWeight: 323.45188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C21H26N2O/c1-17-6-5-7-19(14-17)15-22-21(24)20-10-8-18(9-11-20)16-23-12-3-2-4-13-23/h5-11,14H,2-4,12-13,15-16H2,1H3,(H,22,24)/p+1