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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1H-indol-3-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1H-indol-3-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(1H-indol-3-yl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1H-indol-3-yl)methanone Traditional Name: 1H-indol-3-yl-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C21H22N3O3+ MolecularWeight: 364.41768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C21H21N3O3/c25-21(17-12-22-18-4-2-1-3-16(17)18)24-9-7-23(8-10-24)13-15-5-6-19-20(11-15)27-14-26-19/h1-6,11-12,22H,7-10,13-14H2/p+1