N-[(3-fluoranyl-4-methyl-phenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-[(3-fluoranyl-4-methyl-phenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-[(3-fluoro-4-methyl-phenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-[(3-fluoro-4-methylphenyl)methyl]-4-(2-imidazo[1,2-a]pyridinylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(3-fluoro-4-methylphenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(3-fluoro-4-methyl-benzyl)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-4-ium-1-carboxamide Formula: C21H25FN5O+ MolecularWeight: 382.454503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)N2CC[NH+](CC2)CC3=CN4C=CC=CC4=N3)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)N2CC[NH+](CC2)CC3=CN4C=CC=CC4=N3)F

InChI

InChI=1S/C21H24FN5O/c1-16-5-6-17(12-19(16)22)13-23-21(28)26-10-8-25(9-11-26)14-18-15-27-7-3-2-4-20(27)24-18/h2-7,12,15H,8-11,13-14H2,1H3,(H,23,28)/p+1