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

Systemtic Name: (3S)-1-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(3-chloro-4-methyl-anilino)-2-keto-ethyl]piperidin-1-ium-3-carboxylate Formula: C15H19ClN2O3 MolecularWeight: 310.77596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCC(C2)C(=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC[C@@H](C2)C(=O)[O-])Cl

InChI

InChI=1S/C15H19ClN2O3/c1-10-4-5-12(7-13(10)16)17-14(19)9-18-6-2-3-11(8-18)15(20)21/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,17,19)(H,20,21)/t11-/m0/s1