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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-chloranyl-1H-indol-2-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-chloro-1H-indol-2-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(5-chloro-1H-indol-2-yl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-chloro-1H-indol-2-yl)methanone Traditional Name: (5-chloro-1H-indol-2-yl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C21H21ClN3O3+ MolecularWeight: 398.86274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(N4)C=CC(=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(N4)C=CC(=C5)Cl

InChI

InChI=1S/C21H20ClN3O3/c22-16-2-3-17-15(10-16)11-18(23-17)21(26)25-7-5-24(6-8-25)12-14-1-4-19-20(9-14)28-13-27-19/h1-4,9-11,23H,5-8,12-13H2/p+1