1-[(2S)-butan-2-yl]-2,3-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium

Systemtic Name: 1-[(2S)-butan-2-yl]-2,3-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium Openeye Name: 1-[(1S)-1-methylpropyl]-2,3-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium CAS Name: 1-[(2S)-butan-2-yl]-2,3-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium IUPAC Name: 1-[(2S)-butan-2-yl]-2,3-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium Traditional Name: 1-[(1S)-1-methylpropyl]-2,3-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium Formula: C29H28N+ MolecularWeight: 390.53932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[N+]1=C(C(=CC2=C1C3=CC=CC=C3CC2)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC[C@H](C)[N+]1=C(C(=CC2=C1C3=CC=CC=C3CC2)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H28N/c1-3-21(2)30-28(24-15-8-5-9-16-24)27(22-12-6-4-7-13-22)20-25-19-18-23-14-10-11-17-26(23)29(25)30/h4-17,20-21H,3,18-19H2,1-2H3/q+1/t21-/m0/s1