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

Systemtic Name: 2-chloranyl-N-[1-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide Openeye Name: 2-chloro-N-[1-[2-(3-methoxyanilino)-2-oxo-ethyl]piperidin-1-ium-4-yl]benzamide CAS Name: 2-chloro-N-[1-[2-(3-methoxyanilino)-2-oxoethyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: 2-chloro-N-[1-[2-(3-methoxyanilino)-2-oxoethyl]piperidin-1-ium-4-yl]benzamide Traditional Name: 2-chloro-N-[1-[2-keto-2-(m-anisidino)ethyl]piperidin-1-ium-4-yl]benzamide Formula: C21H25ClN3O3+ MolecularWeight: 402.8945

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H24ClN3O3/c1-28-17-6-4-5-16(13-17)23-20(26)14-25-11-9-15(10-12-25)24-21(27)18-7-2-3-8-19(18)22/h2-8,13,15H,9-12,14H2,1H3,(H,23,26)(H,24,27)/p+1