3-(3-chloranyl-4-methyl-phenyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(3-chloro-4-methyl-phenyl)propanamide CAS Name: 3-(3-chloro-4-methylphenyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(3-chloro-4-methylphenyl)propanamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(3-chloro-4-methyl-phenyl)propionamide Formula: C22H28ClN2O+ MolecularWeight: 371.92352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O/c1-17-7-8-18(15-21(17)23)9-10-22(26)24-20-11-13-25(14-12-20)16-19-5-3-2-4-6-19/h2-8,15,20H,9-14,16H2,1H3,(H,24,26)/p+1