(6-bromanyl-5-methoxy-2-methyl-1-phenyl-indol-3-yl)-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (6-bromanyl-5-methoxy-2-methyl-1-phenyl-indol-3-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (6-bromo-5-methoxy-2-methyl-1-phenyl-indol-3-yl)-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: (6-bromo-5-methoxy-2-methyl-1-phenyl-3-indolyl)-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: (6-bromo-5-methoxy-2-methyl-1-phenylindol-3-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (6-bromo-5-methoxy-2-methyl-1-phenyl-indol-3-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C22H25BrN3O2+ MolecularWeight: 443.3568

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrN3O2/c1-15-21(22(27)25-11-9-24(2)10-12-25)17-13-20(28-3)18(23)14-19(17)26(15)16-7-5-4-6-8-16/h4-8,13-14H,9-12H2,1-3H3/p+1