3-(dimethylamino)propyl 2-[(4-aminophenyl)sulfanylmethyl]benzoate hydrate hydrochloride

Systemtic Name: 3-(dimethylamino)propyl 2-[(4-aminophenyl)sulfanylmethyl]benzoate hydrate hydrochloride Openeye Name: 3-(dimethylamino)propyl 2-[(4-aminophenyl)sulfanylmethyl]benzoate hydrate hydrochloride CAS Name: 2-[[(4-aminophenyl)thio]methyl]benzoic acid 3-(dimethylamino)propyl ester hydrate hydrochloride IUPAC Name: 3-(dimethylamino)propyl 2-[(4-aminophenyl)sulfanylmethyl]benzoate hydrate hydrochloride Traditional Name: 2-[[(4-aminophenyl)thio]methyl]benzoic acid 3-(dimethylamino)propyl ester hydrate hydrochloride Formula: C19H27ClN2O3S MolecularWeight: 398.94728

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC(=O)C1=CC=CC=C1CSC2=CC=C(C=C2)N.O.Cl

Isomeric SMILES

CN(C)CCCOC(=O)C1=CC=CC=C1CSC2=CC=C(C=C2)N.O.Cl

InChI

InChI=1S/C19H24N2O2S.ClH.H2O/c1-21(2)12-5-13-23-19(22)18-7-4-3-6-15(18)14-24-17-10-8-16(20)9-11-17;;/h3-4,6-11H,5,12-14,20H2,1-2H3;1H;1H2