N-[3-(2-methylpropoxy)-2-pyrrolidin-1-yl-propyl]-N-(phenylmethyl)aniline dihydrate hydrochloride

Systemtic Name: N-[3-(2-methylpropoxy)-2-pyrrolidin-1-yl-propyl]-N-(phenylmethyl)aniline dihydrate hydrochloride Openeye Name: N-benzyl-N-(3-isobutoxy-2-pyrrolidin-1-yl-propyl)aniline dihydrate hydrochloride CAS Name: N-[3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl]-N-(phenylmethyl)aniline dihydrate hydrochloride IUPAC Name: N-benzyl-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]aniline dihydrate hydrochloride Traditional Name: benzyl-(3-isobutoxy-2-pyrrolidino-propyl)-phenyl-amine dihydrate hydrochloride Formula: C24H39ClN2O3 MolecularWeight: 439.03106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCC(CN(CC1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3.O.O.Cl

Isomeric SMILES

CC(C)COCC(CN(CC1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3.O.O.Cl

InChI

InChI=1S/C24H34N2O.ClH.2H2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22;;;/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3;1H;2*1H2