1-(1,3-benzodioxol-5-ylmethyl)-4-(2,2-diphenylethyl)piperazin-4-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,2-diphenylethyl)piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,2-diphenylethyl)piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,2-diphenylethyl)piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,2-diphenylethyl)piperazin-4-ium Traditional Name: 1-(2,2-diphenylethyl)-4-piperonyl-piperazin-1-ium Formula: C26H29N2O2+ MolecularWeight: 401.52066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC(C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H28N2O2/c1-3-7-22(8-4-1)24(23-9-5-2-6-10-23)19-28-15-13-27(14-16-28)18-21-11-12-25-26(17-21)30-20-29-25/h1-12,17,24H,13-16,18-20H2/p+1