1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3,3-diphenyl-propan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3,3-diphenyl-propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3,3-diphenyl-propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3,3-diphenyl-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3,3-diphenylpropan-1-one Traditional Name: 3,3-diphenyl-1-(4-piperonylpiperazin-4-ium-1-yl)propan-1-one Formula: C27H29N2O3+ MolecularWeight: 429.53076

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N2O3/c30-27(18-24(22-7-3-1-4-8-22)23-9-5-2-6-10-23)29-15-13-28(14-16-29)19-21-11-12-25-26(17-21)32-20-31-25/h1-12,17,24H,13-16,18-20H2/p+1