1-[3-[(2-methylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[3-[(2-methylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[3-(2-methylanilino)-3-oxo-propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[3-(2-methylanilino)-3-oxopropyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[3-(2-methylanilino)-3-oxopropyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[3-keto-3-(o-toluidino)propyl]piperidin-1-ium-4-carboxamide Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CC[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CC[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C16H23N3O2/c1-12-4-2-3-5-14(12)18-15(20)8-11-19-9-6-13(7-10-19)16(17)21/h2-5,13H,6-11H2,1H3,(H2,17,21)(H,18,20)/p+1