[(1S)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-[(4-piperidin-1-ylcarbonylphenyl)methyl]azanium

Systemtic Name: [(1S)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-[(4-piperidin-1-ylcarbonylphenyl)methyl]azanium Openeye Name: [(1S)-2-(2-methoxy-5-methyl-anilino)-2-oxo-1-phenyl-ethyl]-[[4-(piperidine-1-carbonyl)phenyl]methyl]ammonium CAS Name: [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-[[4-[oxo(1-piperidinyl)methyl]phenyl]methyl]ammonium IUPAC Name: [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-[[4-(piperidine-1-carbonyl)phenyl]methyl]azanium Traditional Name: [(1S)-2-keto-2-(2-methoxy-5-methyl-anilino)-1-phenyl-ethyl]-[4-(piperidine-1-carbonyl)benzyl]ammonium Formula: C29H34N3O3+ MolecularWeight: 472.59856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)[NH2+]CC3=CC=C(C=C3)C(=O)N4CCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C2=CC=CC=C2)[NH2+]CC3=CC=C(C=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C29H33N3O3/c1-21-11-16-26(35-2)25(19-21)31-28(33)27(23-9-5-3-6-10-23)30-20-22-12-14-24(15-13-22)29(34)32-17-7-4-8-18-32/h3,5-6,9-16,19,27,30H,4,7-8,17-18,20H2,1-2H3,(H,31,33)/p+1/t27-/m0/s1