1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-methyl-3-phenyl-prop-2-en-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-methyl-3-phenyl-prop-2-en-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-methyl-3-phenyl-prop-2-en-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-methyl-3-phenyl-2-propen-1-one IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-methyl-3-phenylprop-2-en-1-one Traditional Name: 2-methyl-3-phenyl-1-(4-piperonylpiperazin-4-ium-1-yl)prop-2-en-1-one Formula: C22H25N2O3+ MolecularWeight: 365.4455

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=CC1=CC=CC=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H24N2O3/c1-17(13-18-5-3-2-4-6-18)22(25)24-11-9-23(10-12-24)15-19-7-8-20-21(14-19)27-16-26-20/h2-8,13-14H,9-12,15-16H2,1H3/p+1