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

Systemtic Name: methyl 1-[2-[(3-methylphenyl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-(N-benzyl-3-methyl-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(3-methyl-N-(phenylmethyl)anilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(N-benzyl-3-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(N-benzyl-3-methyl-anilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)C[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)C[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C23H28N2O3/c1-18-7-6-10-21(15-18)25(16-19-8-4-3-5-9-19)22(26)17-24-13-11-20(12-14-24)23(27)28-2/h3-10,15,20H,11-14,16-17H2,1-2H3/p+1