1-(azepan-1-ium-1-yl)-3-(5,7-dimethyl-2,3-diphenyl-indol-1-yl)propan-2-ol

Systemtic Name: 1-(azepan-1-ium-1-yl)-3-(5,7-dimethyl-2,3-diphenyl-indol-1-yl)propan-2-ol Openeye Name: 1-(azepan-1-ium-1-yl)-3-(5,7-dimethyl-2,3-diphenyl-indol-1-yl)propan-2-ol CAS Name: 1-(1-azepan-1-iumyl)-3-(5,7-dimethyl-2,3-diphenyl-1-indolyl)-2-propanol IUPAC Name: 1-(azepan-1-ium-1-yl)-3-(5,7-dimethyl-2,3-diphenylindol-1-yl)propan-2-ol Traditional Name: 1-(azepan-1-ium-1-yl)-3-(5,7-dimethyl-2,3-diphenyl-indol-1-yl)propan-2-ol Formula: C31H37N2O+ MolecularWeight: 453.63828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=C(N2CC(C[NH+]3CCCCCC3)O)C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=C(N2CC(C[NH+]3CCCCCC3)O)C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C31H36N2O/c1-23-19-24(2)30-28(20-23)29(25-13-7-5-8-14-25)31(26-15-9-6-10-16-26)33(30)22-27(34)21-32-17-11-3-4-12-18-32/h5-10,13-16,19-20,27,34H,3-4,11-12,17-18,21-22H2,1-2H3/p+1