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

Systemtic Name: (1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]methanone Formula: C22H29FN3O2+ MolecularWeight: 386.482963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)N3CC[NH+](CC3)CC4=CC(=C(C=C4)OC)F

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)N3CC[NH+](CC3)CC4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C22H28FN3O2/c1-15-12-19(16(2)26(15)18-5-6-18)22(27)25-10-8-24(9-11-25)14-17-4-7-21(28-3)20(23)13-17/h4,7,12-13,18H,5-6,8-11,14H2,1-3H3/p+1