(1R,2S)-2-[3-(azepan-1-yl)propylamino]-5-methyl-1-phenyl-hexan-1-ol dihydrochloride

Systemtic Name: (1R,2S)-2-[3-(azepan-1-yl)propylamino]-5-methyl-1-phenyl-hexan-1-ol dihydrochloride Openeye Name: (1R,2S)-2-[3-(azepan-1-yl)propylamino]-5-methyl-1-phenyl-hexan-1-ol dihydrochloride CAS Name: (1R,2S)-2-[3-(1-azepanyl)propylamino]-5-methyl-1-phenyl-1-hexanol dihydrochloride IUPAC Name: (1R,2S)-2-[3-(azepan-1-yl)propylamino]-5-methyl-1-phenylhexan-1-ol dihydrochloride Traditional Name: (1R,2S)-2-[3-(azepan-1-yl)propylamino]-5-methyl-1-phenyl-hexan-1-ol dihydrochloride Formula: C22H40Cl2N2O MolecularWeight: 419.4718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C(C1=CC=CC=C1)O)NCCCN2CCCCCC2.Cl.Cl

Isomeric SMILES

CC(C)CC[C@@H]([C@@H](C1=CC=CC=C1)O)NCCCN2CCCCCC2.Cl.Cl

InChI

InChI=1S/C22H38N2O.2ClH/c1-19(2)13-14-21(22(25)20-11-6-5-7-12-20)23-15-10-18-24-16-8-3-4-9-17-24;;/h5-7,11-12,19,21-23,25H,3-4,8-10,13-18H2,1-2H3;2*1H/t21-,22+;;/m0../s1