(6-bromanyl-5-methoxy-2-methyl-1-phenyl-indol-3-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (6-bromanyl-5-methoxy-2-methyl-1-phenyl-indol-3-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(6-bromo-5-methoxy-2-methyl-1-phenyl-indol-3-yl)methanone CAS Name: (6-bromo-5-methoxy-2-methyl-1-phenyl-3-indolyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(6-bromo-5-methoxy-2-methyl-1-phenylindol-3-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(6-bromo-5-methoxy-2-methyl-1-phenyl-indol-3-yl)methanone Formula: C28H29BrN3O2+ MolecularWeight: 519.45276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2N1C3=CC=CC=C3)Br)OC)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC(=C(C=C2N1C3=CC=CC=C3)Br)OC)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H28BrN3O2/c1-20-27(28(33)31-15-13-30(14-16-31)19-21-9-5-3-6-10-21)23-17-26(34-2)24(29)18-25(23)32(20)22-11-7-4-8-12-22/h3-12,17-18H,13-16,19H2,1-2H3/p+1