3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-9-ethyl-carbazole

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-9-ethyl-carbazole Openeye Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-9-ethyl-carbazole CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-9-ethylcarbazole IUPAC Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-9-ethylcarbazole Traditional Name: 9-ethyl-3-[(4-piperonylpiperazin-1-ium-1-yl)methyl]carbazole Formula: C27H30N3O2+ MolecularWeight: 428.546

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C61

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C61

InChI

InChI=1S/C27H29N3O2/c1-2-30-24-6-4-3-5-22(24)23-15-20(7-9-25(23)30)17-28-11-13-29(14-12-28)18-21-8-10-26-27(16-21)32-19-31-26/h3-10,15-16H,2,11-14,17-19H2,1H3/p+1