N-[1-[2-[(4-chlorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: N-[1-[2-[(4-chlorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-[2-[(4-chlorophenyl)methyl-methyl-amino]-2-oxo-ethyl]piperidin-1-ium-4-yl]benzamide CAS Name: N-[1-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: N-[1-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[2-[(4-chlorobenzyl)-methyl-amino]-2-keto-ethyl]piperidin-1-ium-4-yl]benzamide Formula: C22H27ClN3O2+ MolecularWeight: 400.92168

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)Cl)C(=O)C[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC=C(C=C1)Cl)C(=O)C[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H26ClN3O2/c1-25(15-17-7-9-19(23)10-8-17)21(27)16-26-13-11-20(12-14-26)24-22(28)18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H,24,28)/p+1