(5-chloranyl-1H-indol-2-yl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-chloranyl-1H-indol-2-yl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (5-chloro-1H-indol-2-yl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (5-chloro-1H-indol-2-yl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (5-chloro-1H-indol-2-yl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (5-chloro-1H-indol-2-yl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]methanone Formula: C22H23ClN3O3+ MolecularWeight: 412.88932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC5=C(N4)C=CC(=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC5=C(N4)C=CC(=C5)Cl

InChI

InChI=1S/C22H22ClN3O3/c23-17-2-3-18-16(12-17)13-19(24-18)22(27)26-7-5-25(6-8-26)14-15-1-4-20-21(11-15)29-10-9-28-20/h1-4,11-13,24H,5-10,14H2/p+1