[(2S)-3-(6-methyl-1-oxidanylidene-3,4-dihydro-2H-carbazol-9-yl)-2-oxidanyl-propyl]-(phenylmethyl)azanium

Systemtic Name: [(2S)-3-(6-methyl-1-oxidanylidene-3,4-dihydro-2H-carbazol-9-yl)-2-oxidanyl-propyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(2S)-2-hydroxy-3-(6-methyl-1-oxo-3,4-dihydro-2H-carbazol-9-yl)propyl]ammonium CAS Name: [(2S)-2-hydroxy-3-(6-methyl-1-oxo-3,4-dihydro-2H-carbazol-9-yl)propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-2-hydroxy-3-(6-methyl-1-oxo-3,4-dihydro-2H-carbazol-9-yl)propyl]azanium Traditional Name: benzyl-[(2S)-2-hydroxy-3-(1-keto-6-methyl-3,4-dihydro-2H-carbazol-9-yl)propyl]ammonium Formula: C23H27N2O2+ MolecularWeight: 363.47268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C3=C2CCCC3=O)CC(C[NH2+]CC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C3=C2CCCC3=O)C[C@H](C[NH2+]CC4=CC=CC=C4)O

InChI

InChI=1S/C23H26N2O2/c1-16-10-11-21-20(12-16)19-8-5-9-22(27)23(19)25(21)15-18(26)14-24-13-17-6-3-2-4-7-17/h2-4,6-7,10-12,18,24,26H,5,8-9,13-15H2,1H3/p+1/t18-/m0/s1