N,N-diethyl-4-(1-phenylcyclohexyl)oxy-but-2-yn-1-amine hydrate dihydrochloride

Systemtic Name: N,N-diethyl-4-(1-phenylcyclohexyl)oxy-but-2-yn-1-amine hydrate dihydrochloride Openeye Name: N,N-diethyl-4-(1-phenylcyclohexoxy)but-2-yn-1-amine hydrate dihydrochloride CAS Name: N,N-diethyl-4-(1-phenylcyclohexyl)oxy-2-butyn-1-amine hydrate dihydrochloride IUPAC Name: N,N-diethyl-4-(1-phenylcyclohexyl)oxybut-2-yn-1-amine hydrate dihydrochloride Traditional Name: diethyl-[4-(1-phenylcyclohexoxy)but-2-ynyl]amine hydrate dihydrochloride Formula: C40H62Cl2N2O3 MolecularWeight: 689.83788

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CCOC1(CCCCC1)C2=CC=CC=C2.CCN(CC)CC#CCOC1(CCCCC1)C2=CC=CC=C2.O.Cl.Cl

Isomeric SMILES

CCN(CC)CC#CCOC1(CCCCC1)C2=CC=CC=C2.CCN(CC)CC#CCOC1(CCCCC1)C2=CC=CC=C2.O.Cl.Cl

InChI

InChI=1S/2C20H29NO.2ClH.H2O/c2*1-3-21(4-2)17-11-12-18-22-20(15-9-6-10-16-20)19-13-7-5-8-14-19;;;/h2*5,7-8,13-14H,3-4,6,9-10,15-18H2,1-2H3;2*1H;1H2