1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(5-fluoro-2-methoxy-benzyl)piperazin-1-ium-1-yl]ethanone Formula: C23H31FN3O2+ MolecularWeight: 400.509543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)C[NH+]3CCN(CC3)CC4=C(C=CC(=C4)F)OC

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)C[NH+]3CCN(CC3)CC4=C(C=CC(=C4)F)OC

InChI

InChI=1S/C23H30FN3O2/c1-16-12-21(17(2)27(16)20-5-6-20)22(28)15-26-10-8-25(9-11-26)14-18-13-19(24)4-7-23(18)29-3/h4,7,12-13,20H,5-6,8-11,14-15H2,1-3H3/p+1