3-cyclohexa-1,3-dien-1-yl-3-indol-1-yl-N,N-dimethyl-butan-1-amine hydrate dihydrochloride

Systemtic Name: 3-cyclohexa-1,3-dien-1-yl-3-indol-1-yl-N,N-dimethyl-butan-1-amine hydrate dihydrochloride Openeye Name: 3-cyclohexa-1,3-dien-1-yl-3-indol-1-yl-N,N-dimethyl-butan-1-amine hydrate dihydrochloride CAS Name: 3-(1-cyclohexa-1,3-dienyl)-3-(1-indolyl)-N,N-dimethyl-1-butanamine hydrate dihydrochloride IUPAC Name: 3-cyclohexa-1,3-dien-1-yl-3-indol-1-yl-N,N-dimethylbutan-1-amine hydrate dihydrochloride Traditional Name: (3-cyclohexa-1,3-dien-1-yl-3-indol-1-yl-butyl)-dimethyl-amine hydrate dihydrochloride Formula: C20H30Cl2N2O MolecularWeight: 385.371

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN(C)C)(C1=CC=CCC1)N2C=CC3=CC=CC=C32.O.Cl.Cl

Isomeric SMILES

CC(CCN(C)C)(C1=CC=CCC1)N2C=CC3=CC=CC=C32.O.Cl.Cl

InChI

InChI=1S/C20H26N2.2ClH.H2O/c1-20(14-16-21(2)3,18-10-5-4-6-11-18)22-15-13-17-9-7-8-12-19(17)22;;;/h4-5,7-10,12-13,15H,6,11,14,16H2,1-3H3;2*1H;1H2