3,4-dimethyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide

Systemtic Name: 3,4-dimethyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3,4-dimethyl-benzamide CAS Name: 3,4-dimethyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]benzamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3,4-dimethylbenzamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3,4-dimethyl-benzamide Formula: C21H27N2O+ MolecularWeight: 323.45188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H26N2O/c1-16-8-9-19(14-17(16)2)21(24)22-20-10-12-23(13-11-20)15-18-6-4-3-5-7-18/h3-9,14,20H,10-13,15H2,1-2H3,(H,22,24)/p+1