3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-2-chloranyl-7-methoxy-quinoline

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-2-chloranyl-7-methoxy-quinoline Openeye Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-2-chloro-7-methoxy-quinoline CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-2-chloro-7-methoxyquinoline IUPAC Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-2-chloro-7-methoxyquinoline Traditional Name: 2-chloro-7-methoxy-3-[(4-piperonylpiperazin-1-ium-1-yl)methyl]quinoline Formula: C23H25ClN3O3+ MolecularWeight: 426.9159

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C23H24ClN3O3/c1-28-19-4-3-17-11-18(23(24)25-20(17)12-19)14-27-8-6-26(7-9-27)13-16-2-5-21-22(10-16)30-15-29-21/h2-5,10-12H,6-9,13-15H2,1H3/p+1