1-[2-[[2-[(3-methylphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[[2-[(3-methylphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[2-(m-tolylcarbamoyl)anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[2-[(3-methylanilino)-oxomethyl]anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[2-(m-tolylcarbamoyl)anilino]ethyl]piperidin-1-ium-4-carboxamide Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C22H26N4O3/c1-15-5-4-6-17(13-15)24-22(29)18-7-2-3-8-19(18)25-20(27)14-26-11-9-16(10-12-26)21(23)28/h2-8,13,16H,9-12,14H2,1H3,(H2,23,28)(H,24,29)(H,25,27)/p+1