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

Systemtic Name: N-[1-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-3-methoxy-benzamide Openeye Name: N-[1-[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]piperidin-1-ium-4-yl]-3-methoxy-benzamide CAS Name: N-[1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-4-piperidin-1-iumyl]-3-methoxybenzamide IUPAC Name: N-[1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidin-1-ium-4-yl]-3-methoxybenzamide Traditional Name: N-[1-[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]piperidin-1-ium-4-yl]-3-methoxy-benzamide Formula: C22H27ClN3O3+ MolecularWeight: 416.92108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C[NH+]2CCC(CC2)NC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C[NH+]2CCC(CC2)NC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H26ClN3O3/c1-15-19(23)7-4-8-20(15)25-21(27)14-26-11-9-17(10-12-26)24-22(28)16-5-3-6-18(13-16)29-2/h3-8,13,17H,9-12,14H2,1-2H3,(H,24,28)(H,25,27)/p+1