N-[1-[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-3-methyl-benzamide

Systemtic Name: N-[1-[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-3-methyl-benzamide Openeye Name: N-[1-[2-(3-chloroanilino)-2-oxo-ethyl]piperidin-1-ium-4-yl]-3-methyl-benzamide CAS Name: N-[1-[2-(3-chloroanilino)-2-oxoethyl]-4-piperidin-1-iumyl]-3-methylbenzamide IUPAC Name: N-[1-[2-(3-chloroanilino)-2-oxoethyl]piperidin-1-ium-4-yl]-3-methylbenzamide Traditional Name: N-[1-[2-(3-chloroanilino)-2-keto-ethyl]piperidin-1-ium-4-yl]-3-methyl-benzamide Formula: C21H25ClN3O2+ MolecularWeight: 386.8951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H24ClN3O2/c1-15-4-2-5-16(12-15)21(27)24-18-8-10-25(11-9-18)14-20(26)23-19-7-3-6-17(22)13-19/h2-7,12-13,18H,8-11,14H2,1H3,(H,23,26)(H,24,27)/p+1