(2,3-dimethyl-1H-indol-5-yl)-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (2,3-dimethyl-1H-indol-5-yl)-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2,3-dimethyl-1H-indol-5-yl)-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (2,3-dimethyl-1H-indol-5-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2,3-dimethyl-1H-indol-5-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2,3-dimethyl-1H-indol-5-yl)-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]methanone Formula: C23H27FN3O2+ MolecularWeight: 396.477783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC(=C(C=C4)OC)F)C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC(=C(C=C4)OC)F)C

InChI

InChI=1S/C23H26FN3O2/c1-15-16(2)25-21-6-5-18(13-19(15)21)23(28)27-10-8-26(9-11-27)14-17-4-7-22(29-3)20(24)12-17/h4-7,12-13,25H,8-11,14H2,1-3H3/p+1