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

Systemtic Name: 3-chloranyl-4-ethoxy-5-methoxy-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-chloro-4-ethoxy-5-methoxy-benzamide CAS Name: 3-chloro-4-ethoxy-5-methoxy-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]benzamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-chloro-4-ethoxy-5-methoxybenzamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-chloro-4-ethoxy-5-methoxy-benzamide Formula: C22H28ClN2O3+ MolecularWeight: 403.92232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C22H27ClN2O3/c1-3-28-21-19(23)13-17(14-20(21)27-2)22(26)24-18-9-11-25(12-10-18)15-16-7-5-4-6-8-16/h4-8,13-14,18H,3,9-12,15H2,1-2H3,(H,24,26)/p+1