[4-(benzimidazol-1-yl)phenyl]-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [4-(benzimidazol-1-yl)phenyl]-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [4-(benzimidazol-1-yl)phenyl]-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-(1-benzimidazolyl)phenyl]-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(benzimidazol-1-yl)phenyl]-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [4-(benzimidazol-1-yl)phenyl]-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C26H25N4O3+ MolecularWeight: 441.5017

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)N5C=NC6=CC=CC=C65

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)N5C=NC6=CC=CC=C65

InChI

InChI=1S/C26H24N4O3/c31-26(20-6-8-21(9-7-20)30-17-27-22-3-1-2-4-23(22)30)29-13-11-28(12-14-29)16-19-5-10-24-25(15-19)33-18-32-24/h1-10,15,17H,11-14,16,18H2/p+1