N-[(E)-but-2-enyl]-3-methoxy-2-methyl-3,3-diphenyl-propan-1-amine hydrate hydrochloride

Systemtic Name: N-[(E)-but-2-enyl]-3-methoxy-2-methyl-3,3-diphenyl-propan-1-amine hydrate hydrochloride Openeye Name: N-[(E)-but-2-enyl]-3-methoxy-2-methyl-3,3-diphenyl-propan-1-amine hydrate hydrochloride CAS Name: N-[(E)-but-2-enyl]-3-methoxy-2-methyl-3,3-diphenyl-1-propanamine hydrate hydrochloride IUPAC Name: N-[(E)-but-2-enyl]-3-methoxy-2-methyl-3,3-diphenylpropan-1-amine hydrate hydrochloride Traditional Name: [(E)-but-2-enyl]-(3-methoxy-2-methyl-3,3-diphenyl-propyl)amine hydrate hydrochloride Formula: C21H30ClNO2 MolecularWeight: 363.9214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO.ClH.H2O/c1-4-5-16-22-17-18(2)21(23-3,19-12-8-6-9-13-19)20-14-10-7-11-15-20;;/h4-15,18,22H,16-17H2,1-3H3;1H;1H2/b5-4+;;