1-(4-butoxyphenyl)-3-piperidin-1-yl-propan-1-one; 1,3-dinitrooxypropan-2-yl nitrate; hydrochloride

Systemtic Name: 1-(4-butoxyphenyl)-3-piperidin-1-yl-propan-1-one; 1,3-dinitrooxypropan-2-yl nitrate; hydrochloride Openeye Name: 1-(4-butoxyphenyl)-3-(1-piperidyl)propan-1-one; 2,3-dinitrooxypropyl nitrate; hydrochloride CAS Name: 1-(4-butoxyphenyl)-3-(1-piperidinyl)-1-propanone; nitric acid 1,3-dinitrooxypropan-2-yl ester; hydrochloride IUPAC Name: 1-(4-butoxyphenyl)-3-piperidin-1-ylpropan-1-one; 1,3-dinitrooxypropan-2-yl nitrate; hydrochloride Traditional Name: 1-(4-butoxyphenyl)-3-piperidino-propan-1-one; nitric acid 2,3-dinitrooxypropyl ester; hydrochloride Formula: C21H33ClN4O11 MolecularWeight: 552.95992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)CCN2CCCCC2.C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-].Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)CCN2CCCCC2.C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-].Cl

InChI

InChI=1S/C18H27NO2.C3H5N3O9.ClH/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19;7-4(8)13-1-3(15-6(11)12)2-14-5(9)10;/h7-10H,2-6,11-15H2,1H3;3H,1-2H2;1H