N-(3-chloranyl-4-methoxy-phenyl)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-1-(1-naphthylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-(3-chloro-4-methoxyphenyl)-1-(1-naphthalenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-1-(1-naphthylmethyl)piperidin-1-ium-4-carboxamide Formula: C24H26ClN2O2+ MolecularWeight: 409.92844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)Cl

InChI

InChI=1S/C24H25ClN2O2/c1-29-23-10-9-20(15-22(23)25)26-24(28)18-11-13-27(14-12-18)16-19-7-4-6-17-5-2-3-8-21(17)19/h2-10,15,18H,11-14,16H2,1H3,(H,26,28)/p+1