3-(azepan-1-yl)-1-(1,3-benzodioxol-5-yl)propan-1-one hydrochloride

Systemtic Name: 3-(azepan-1-yl)-1-(1,3-benzodioxol-5-yl)propan-1-one hydrochloride Openeye Name: 3-(azepan-1-yl)-1-(1,3-benzodioxol-5-yl)propan-1-one hydrochloride CAS Name: 3-(1-azepanyl)-1-(1,3-benzodioxol-5-yl)-1-propanone hydrochloride IUPAC Name: 3-(azepan-1-yl)-1-(1,3-benzodioxol-5-yl)propan-1-one hydrochloride Traditional Name: 3-(azepan-1-yl)-1-(1,3-benzodioxol-5-yl)propan-1-one hydrochloride Formula: C16H22ClNO3 MolecularWeight: 311.80378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCC(=O)C2=CC3=C(C=C2)OCO3.Cl

Isomeric SMILES

C1CCCN(CC1)CCC(=O)C2=CC3=C(C=C2)OCO3.Cl

InChI

InChI=1S/C16H21NO3.ClH/c18-14(7-10-17-8-3-1-2-4-9-17)13-5-6-15-16(11-13)20-12-19-15;/h5-6,11H,1-4,7-10,12H2;1H