3-(4-phenylpiperidin-1-yl)propyl 4-azanylbenzoate hydrate hydrochloride

Systemtic Name: 3-(4-phenylpiperidin-1-yl)propyl 4-azanylbenzoate hydrate hydrochloride Openeye Name: 3-(4-phenyl-1-piperidyl)propyl 4-aminobenzoate hydrate hydrochloride CAS Name: 4-aminobenzoic acid 3-(4-phenyl-1-piperidinyl)propyl ester hydrate hydrochloride IUPAC Name: 3-(4-phenylpiperidin-1-yl)propyl 4-aminobenzoate hydrate hydrochloride Traditional Name: 4-aminobenzoic acid 3-(4-phenylpiperidino)propyl ester hydrate hydrochloride Formula: C21H29ClN2O3 MolecularWeight: 392.91956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)CCCOC(=O)C3=CC=C(C=C3)N.O.Cl

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)CCCOC(=O)C3=CC=C(C=C3)N.O.Cl

InChI

InChI=1S/C21H26N2O2.ClH.H2O/c22-20-9-7-19(8-10-20)21(24)25-16-4-13-23-14-11-18(12-15-23)17-5-2-1-3-6-17;;/h1-3,5-10,18H,4,11-16,22H2;1H;1H2