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

Systemtic Name: (E)-1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonylpiperidin-1-yl]-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-1-piperidyl]-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-1-piperidinyl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]piperidin-1-yl]-3-phenylprop-2-en-1-one Traditional Name: (E)-3-phenyl-1-[4-(4-piperonylpiperazin-4-ium-1-carbonyl)piperidino]prop-2-en-1-one Formula: C27H32N3O4+ MolecularWeight: 462.56068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C(=O)C=CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C27H31N3O4/c31-26(9-7-21-4-2-1-3-5-21)29-12-10-23(11-13-29)27(32)30-16-14-28(15-17-30)19-22-6-8-24-25(18-22)34-20-33-24/h1-9,18,23H,10-17,19-20H2/p+1/b9-7+