1-[2-[(3-azanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-[(3-azanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(3-amino-4-methyl-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(3-amino-4-methylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(3-amino-4-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(3-amino-4-methyl-anilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylate Formula: C15H21N3O3 MolecularWeight: 291.34554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)[O-])N

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)[O-])N

InChI

InChI=1S/C15H21N3O3/c1-10-2-3-12(8-13(10)16)17-14(19)9-18-6-4-11(5-7-18)15(20)21/h2-3,8,11H,4-7,9,16H2,1H3,(H,17,19)(H,20,21)