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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(1H-indol-3-yl)propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(1H-indol-3-yl)propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-(1H-indol-3-yl)-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(1H-indol-3-yl)propan-1-one Traditional Name: 3-(1H-indol-3-yl)-1-(4-piperonylpiperazin-4-ium-1-yl)propan-1-one Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCC4=CNC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C23H25N3O3/c27-23(8-6-18-14-24-20-4-2-1-3-19(18)20)26-11-9-25(10-12-26)15-17-5-7-21-22(13-17)29-16-28-21/h1-5,7,13-14,24H,6,8-12,15-16H2/p+1