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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-pyrrol-1-ylphenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-pyrrol-1-ylphenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[3-(1-pyrrolyl)phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-pyrrol-1-ylphenyl)methanone Traditional Name: (4-piperonylpiperazin-4-ium-1-yl)-(3-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(=CC=C4)N5C=CC=C5

Isomeric SMILES

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

InChI

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