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

Systemtic Name: N,N-diethyl-4-(1-phenylcyclohexyl)oxy-but-2-yn-1-amine hydrate hydrochloride Openeye Name: N,N-diethyl-4-(1-phenylcyclohexoxy)but-2-yn-1-amine hydrate hydrochloride CAS Name: N,N-diethyl-4-(1-phenylcyclohexyl)oxy-2-butyn-1-amine hydrate hydrochloride IUPAC Name: N,N-diethyl-4-(1-phenylcyclohexyl)oxybut-2-yn-1-amine hydrate hydrochloride Traditional Name: diethyl-[4-(1-phenylcyclohexoxy)but-2-ynyl]amine hydrate hydrochloride Formula: C20H32ClNO2 MolecularWeight: 353.92658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO.ClH.H2O/c1-3-21(4-2)17-11-12-18-22-20(15-9-6-10-16-20)19-13-7-5-8-14-19;;/h5,7-8,13-14H,3-4,6,9-10,15-18H2,1-2H3;1H;1H2