N'-(5-chloranyl-2-methoxy-phenyl)-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide

Systemtic Name: N'-(5-chloranyl-2-methoxy-phenyl)-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-(5-chloro-2-methoxy-phenyl)oxamide CAS Name: N'-(5-chloro-2-methoxyphenyl)-N-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]oxamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-(5-chloro-2-methoxyphenyl)oxamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-(5-chloro-2-methoxy-phenyl)oxamide Formula: C22H27ClN3O3+ MolecularWeight: 416.92108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H26ClN3O3/c1-29-20-8-7-18(23)13-19(20)25-22(28)21(27)24-14-16-9-11-26(12-10-16)15-17-5-3-2-4-6-17/h2-8,13,16H,9-12,14-15H2,1H3,(H,24,27)(H,25,28)/p+1