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

Systemtic Name: 1-[2-[(3-methylphenyl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(N-benzyl-3-methyl-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(3-methyl-N-(phenylmethyl)anilino)-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(N-benzyl-3-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(N-benzyl-3-methyl-anilino)-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2/c1-17-6-5-9-20(14-17)25(15-18-7-3-2-4-8-18)21(26)16-24-12-10-19(11-13-24)22(23)27/h2-9,14,19H,10-13,15-16H2,1H3,(H2,23,27)/p+1