5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-4-oxidanylidene-1-(phenylmethyl)-N-prop-2-enyl-pyridine-3-carboxamide

Systemtic Name: 5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-4-oxidanylidene-1-(phenylmethyl)-N-prop-2-enyl-pyridine-3-carboxamide Openeye Name: N-allyl-1-benzyl-5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]-4-oxo-pyridine-3-carboxamide CAS Name: 5-[[4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-4-oxo-1-(phenylmethyl)-N-prop-2-enyl-3-pyridinecarboxamide IUPAC Name: 1-benzyl-5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide Traditional Name: N-allyl-1-benzyl-5-[4-(3-fluorobenzyl)piperazin-4-ium-1-carbonyl]-4-keto-nicotinamide Formula: C28H30FN4O3+ MolecularWeight: 489.561203

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F)CC4=CC=CC=C4

Isomeric SMILES

C=CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F)CC4=CC=CC=C4

InChI

InChI=1S/C28H29FN4O3/c1-2-11-30-27(35)24-19-32(17-21-7-4-3-5-8-21)20-25(26(24)34)28(36)33-14-12-31(13-15-33)18-22-9-6-10-23(29)16-22/h2-10,16,19-20H,1,11-15,17-18H2,(H,30,35)/p+1