3-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-9-ethyl-carbazole

Systemtic Name: 3-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-9-ethyl-carbazole Openeye Name: 3-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-9-ethyl-carbazole CAS Name: 3-[[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-1-iumyl]methyl]-9-ethylcarbazole IUPAC Name: 3-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-9-ethylcarbazole Traditional Name: 3-[[4-(2,5-dimethoxybenzyl)piperazin-1-ium-1-yl]methyl]-9-ethyl-carbazole Formula: C28H34N3O2+ MolecularWeight: 444.58846

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C[NH+]3CCN(CC3)CC4=C(C=CC(=C4)OC)OC)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C[NH+]3CCN(CC3)CC4=C(C=CC(=C4)OC)OC)C5=CC=CC=C51

InChI

InChI=1S/C28H33N3O2/c1-4-31-26-8-6-5-7-24(26)25-17-21(9-11-27(25)31)19-29-13-15-30(16-14-29)20-22-18-23(32-2)10-12-28(22)33-3/h5-12,17-18H,4,13-16,19-20H2,1-3H3/p+1