1-[3-[(3-chloranyl-2-methyl-phenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[3-[(3-chloranyl-2-methyl-phenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[3-(3-chloro-2-methyl-anilino)-3-oxo-propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[3-(3-chloro-2-methyl-anilino)-3-keto-propyl]piperidin-1-ium-4-carboxamide Formula: C16H23ClN3O2+ MolecularWeight: 324.82572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN3O2/c1-11-13(17)3-2-4-14(11)19-15(21)7-10-20-8-5-12(6-9-20)16(18)22/h2-4,12H,5-10H2,1H3,(H2,18,22)(H,19,21)/p+1