N-(4-chloranyl-2,5-dimethoxy-phenyl)-1-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-1-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-benzyl-N-(4-chloro-2,5-dimethoxy-phenyl)piperidin-1-ium-4-carboxamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-1-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-benzyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-benzyl-N-(4-chloro-2,5-dimethoxy-phenyl)piperidin-1-ium-4-carboxamide Formula: C21H26ClN2O3+ MolecularWeight: 389.89574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2CC[NH+](CC2)CC3=CC=CC=C3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2CC[NH+](CC2)CC3=CC=CC=C3)OC)Cl

InChI

InChI=1S/C21H25ClN2O3/c1-26-19-13-18(20(27-2)12-17(19)22)23-21(25)16-8-10-24(11-9-16)14-15-6-4-3-5-7-15/h3-7,12-13,16H,8-11,14H2,1-2H3,(H,23,25)/p+1