4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide Openeye Name: 4-(2-amino-2-oxo-ethoxy)-N-(1-benzylpiperidin-1-ium-4-yl)-3-chloro-5-methoxy-benzamide CAS Name: 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]benzamide IUPAC Name: 4-(2-amino-2-oxoethoxy)-N-(1-benzylpiperidin-1-ium-4-yl)-3-chloro-5-methoxybenzamide Traditional Name: 4-(2-amino-2-keto-ethoxy)-N-(1-benzylpiperidin-1-ium-4-yl)-3-chloro-5-methoxy-benzamide Formula: C22H27ClN3O4+ MolecularWeight: 432.92048

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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)OCC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O4/c1-29-19-12-16(11-18(23)21(19)30-14-20(24)27)22(28)25-17-7-9-26(10-8-17)13-15-5-3-2-4-6-15/h2-6,11-12,17H,7-10,13-14H2,1H3,(H2,24,27)(H,25,28)/p+1