9-ethyl-3-[[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium-1-yl]methyl]carbazole

Systemtic Name: 9-ethyl-3-[[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium-1-yl]methyl]carbazole Openeye Name: 9-ethyl-3-[[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium-1-yl]methyl]carbazole CAS Name: 9-ethyl-3-[[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-piperazin-1-iumyl]methyl]carbazole IUPAC Name: 9-ethyl-3-[[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium-1-yl]methyl]carbazole Traditional Name: 9-ethyl-3-[[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium-1-yl]methyl]carbazole Formula: C28H32N3O3+ MolecularWeight: 458.57198

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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)OC)OCO5)C6=CC=CC=C61

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O3/c1-3-31-24-7-5-4-6-22(24)23-14-20(8-9-25(23)31)17-29-10-12-30(13-11-29)18-21-15-26(32-2)28-27(16-21)33-19-34-28/h4-9,14-16H,3,10-13,17-19H2,1-2H3/p+1