[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(2,3-dimethyl-1H-indol-5-yl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone Traditional Name: (2,3-dimethyl-1H-indol-5-yl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C23H25N3O3/c1-15-16(2)24-20-5-4-18(12-19(15)20)23(27)26-9-7-25(8-10-26)13-17-3-6-21-22(11-17)29-14-28-21/h3-6,11-12,24H,7-10,13-14H2,1-2H3/p+1