5-[3-(1,3-benzodioxol-5-yl)piperidin-1-ium-1-yl]pent-1-en-3-one hydrochloride

Systemtic Name: 5-[3-(1,3-benzodioxol-5-yl)piperidin-1-ium-1-yl]pent-1-en-3-one hydrochloride Openeye Name: 5-[3-(1,3-benzodioxol-5-yl)piperidin-1-ium-1-yl]pent-1-en-3-one hydrochloride CAS Name: 5-[3-(1,3-benzodioxol-5-yl)-1-piperidin-1-iumyl]-1-penten-3-one hydrochloride IUPAC Name: 5-[3-(1,3-benzodioxol-5-yl)piperidin-1-ium-1-yl]pent-1-en-3-one hydrochloride Traditional Name: 5-[3-(1,3-benzodioxol-5-yl)piperidin-1-ium-1-yl]pent-1-en-3-one hydrochloride Formula: C17H23ClNO3+ MolecularWeight: 324.82242

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)CC[NH+]1CCCC(C1)C2=CC3=C(C=C2)OCO3.Cl

Isomeric SMILES

C=CC(=O)CC[NH+]1CCCC(C1)C2=CC3=C(C=C2)OCO3.Cl

InChI

InChI=1S/C17H21NO3.ClH/c1-2-15(19)7-9-18-8-3-4-14(11-18)13-5-6-16-17(10-13)21-12-20-16;/h2,5-6,10,14H,1,3-4,7-9,11-12H2;1H/p+1