N-(2-chloranylbut-3-enyl)-3-methoxy-2-methyl-3,3-diphenyl-propan-1-amine hydrate hydrochloride

Systemtic Name: N-(2-chloranylbut-3-enyl)-3-methoxy-2-methyl-3,3-diphenyl-propan-1-amine hydrate hydrochloride Openeye Name: N-(2-chlorobut-3-enyl)-3-methoxy-2-methyl-3,3-diphenyl-propan-1-amine hydrate hydrochloride CAS Name: N-(2-chlorobut-3-enyl)-3-methoxy-2-methyl-3,3-diphenyl-1-propanamine hydrate hydrochloride IUPAC Name: N-(2-chlorobut-3-enyl)-3-methoxy-2-methyl-3,3-diphenylpropan-1-amine hydrate hydrochloride Traditional Name: 2-chlorobut-3-enyl-(3-methoxy-2-methyl-3,3-diphenyl-propyl)amine hydrate hydrochloride Formula: C21H29Cl2NO2 MolecularWeight: 398.36646

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNCC(C=C)Cl)C(C1=CC=CC=C1)(C2=CC=CC=C2)OC.O.Cl

Isomeric SMILES

CC(CNCC(C=C)Cl)C(C1=CC=CC=C1)(C2=CC=CC=C2)OC.O.Cl

InChI

InChI=1S/C21H26ClNO.ClH.H2O/c1-4-20(22)16-23-15-17(2)21(24-3,18-11-7-5-8-12-18)19-13-9-6-10-14-19;;/h4-14,17,20,23H,1,15-16H2,2-3H3;1H;1H2