3-chloranyl-4,5-dimethoxy-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide

Systemtic Name: 3-chloranyl-4,5-dimethoxy-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-chloro-4,5-dimethoxy-benzamide CAS Name: 3-chloro-4,5-dimethoxy-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]benzamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-chloro-4,5-dimethoxybenzamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-chloro-4,5-dimethoxy-benzamide Formula: C21H26ClN2O3+ MolecularWeight: 389.89574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)Cl)OC

InChI

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