[(1S)-2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-[(4-piperidin-1-ylcarbonylphenyl)methyl]azanium

Systemtic Name: [(1S)-2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-[(4-piperidin-1-ylcarbonylphenyl)methyl]azanium Openeye Name: [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenyl-ethyl]-[[4-(piperidine-1-carbonyl)phenyl]methyl]ammonium CAS Name: [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-[[4-[oxo(1-piperidinyl)methyl]phenyl]methyl]ammonium IUPAC Name: [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-[[4-(piperidine-1-carbonyl)phenyl]methyl]azanium Traditional Name: [(1S)-2-keto-2-(m-anisidino)-1-phenyl-ethyl]-[4-(piperidine-1-carbonyl)benzyl]ammonium Formula: C28H32N3O3+ MolecularWeight: 458.57198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)[NH2+]CC3=CC=C(C=C3)C(=O)N4CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH2+]CC3=CC=C(C=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C28H31N3O3/c1-34-25-12-8-11-24(19-25)30-27(32)26(22-9-4-2-5-10-22)29-20-21-13-15-23(16-14-21)28(33)31-17-6-3-7-18-31/h2,4-5,8-16,19,26,29H,3,6-7,17-18,20H2,1H3,(H,30,32)/p+1/t26-/m0/s1