1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(2-methylbenzimidazol-1-yl)propan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(2-methylbenzimidazol-1-yl)propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(2-methylbenzimidazol-1-yl)propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-(2-methyl-1-benzimidazolyl)-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(2-methylbenzimidazol-1-yl)propan-1-one Traditional Name: 3-(2-methylbenzimidazol-1-yl)-1-(4-piperonylpiperazin-4-ium-1-yl)propan-1-one Formula: C23H27N4O3+ MolecularWeight: 407.48548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CCC(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CCC(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H26N4O3/c1-17-24-19-4-2-3-5-20(19)27(17)9-8-23(28)26-12-10-25(11-13-26)15-18-6-7-21-22(14-18)30-16-29-21/h2-7,14H,8-13,15-16H2,1H3/p+1