4-(2-phenylethanoyl)-3-(pyrrolidin-1-ylmethyl)piperazine-1-carbaldehyde; (sulfinoamino)methane; hydrochloride

Systemtic Name: 4-(2-phenylethanoyl)-3-(pyrrolidin-1-ylmethyl)piperazine-1-carbaldehyde; (sulfinoamino)methane; hydrochloride Openeye Name: 4-(2-phenylacetyl)-3-(pyrrolidin-1-ylmethyl)piperazine-1-carbaldehyde; (sulfinoamino)methane; hydrochloride CAS Name: 4-(1-oxo-2-phenylethyl)-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxaldehyde; (sulfinoamino)methane; hydrochloride IUPAC Name: 4-(2-phenylacetyl)-3-(pyrrolidin-1-ylmethyl)piperazine-1-carbaldehyde; (sulfinoamino)methane; hydrochloride Traditional Name: 4-(2-phenylacetyl)-3-(pyrrolidinomethyl)piperazine-1-carbaldehyde; (sulfinoamino)methane; hydrochloride Formula: C19H31ClN4O4S MolecularWeight: 446.99184

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)O.C1CCN(C1)CC2CN(CCN2C(=O)CC3=CC=CC=C3)C=O.Cl

Isomeric SMILES

CNS(=O)O.C1CCN(C1)CC2CN(CCN2C(=O)CC3=CC=CC=C3)C=O.Cl

InChI

InChI=1S/C18H25N3O2.CH5NO2S.ClH/c22-15-20-10-11-21(17(14-20)13-19-8-4-5-9-19)18(23)12-16-6-2-1-3-7-16;1-2-5(3)4;/h1-3,6-7,15,17H,4-5,8-14H2;2H,1H3,(H,3,4);1H