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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-pyrrol-1-ylphenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-pyrrol-1-ylphenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[4-(1-pyrrolyl)phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-pyrrol-1-ylphenyl)methanone Traditional Name: (4-piperonylpiperazin-4-ium-1-yl)-(4-pyrrol-1-ylphenyl)methanone Formula: C23H24N3O3+ MolecularWeight: 390.45496

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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=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)N5C=CC=C5

InChI

InChI=1S/C23H23N3O3/c27-23(19-4-6-20(7-5-19)25-9-1-2-10-25)26-13-11-24(12-14-26)16-18-3-8-21-22(15-18)29-17-28-21/h1-10,15H,11-14,16-17H2/p+1