3-[[4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-9-ethyl-carbazole

Systemtic Name: 3-[[4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-9-ethyl-carbazole Openeye Name: 3-[[4-[(3-bromo-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-9-ethyl-carbazole CAS Name: 3-[[4-[(3-bromo-4-methoxyphenyl)methyl]-1-piperazin-1-iumyl]methyl]-9-ethylcarbazole IUPAC Name: 3-[[4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-9-ethylcarbazole Traditional Name: 3-[[4-(3-bromo-4-methoxy-benzyl)piperazin-1-ium-1-yl]methyl]-9-ethyl-carbazole Formula: C27H31BrN3O+ MolecularWeight: 493.45854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30BrN3O/c1-3-31-25-7-5-4-6-22(25)23-16-20(8-10-26(23)31)18-29-12-14-30(15-13-29)19-21-9-11-27(32-2)24(28)17-21/h4-11,16-17H,3,12-15,18-19H2,1-2H3/p+1