1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-3-propyl-benzimidazol-2-one

Systemtic Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-3-propyl-benzimidazol-2-one Openeye Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-3-propyl-benzimidazol-2-one CAS Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-3-propyl-2-benzimidazolone IUPAC Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-3-propylbenzimidazol-2-one Traditional Name: 1-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]-3-propyl-benzimidazol-2-one Formula: C23H30N4O3+2 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=O)C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=O)C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H28N4O3/c1-2-9-26-19-5-3-4-6-20(19)27(23(26)28)16-25-12-10-24(11-13-25)15-18-7-8-21-22(14-18)30-17-29-21/h3-8,14H,2,9-13,15-17H2,1H3/p+2