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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-methylindol-3-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-methylindol-3-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(1-methyl-3-indolyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-methylindol-3-yl)methanone Traditional Name: (1-methylindol-3-yl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C22H24N3O3+ MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H23N3O3/c1-23-14-18(17-4-2-3-5-19(17)23)22(26)25-10-8-24(9-11-25)13-16-6-7-20-21(12-16)28-15-27-20/h2-7,12,14H,8-11,13,15H2,1H3/p+1