2-(5-azanyl-3-methyl-pyrazol-1-yl)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-(5-azanyl-3-methyl-pyrazol-1-yl)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]ethanamide Openeye Name: 2-(5-amino-3-methyl-pyrazol-1-yl)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]acetamide CAS Name: 2-(5-amino-3-methyl-1-pyrazolyl)-N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]acetamide IUPAC Name: 2-(5-amino-3-methylpyrazol-1-yl)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]acetamide Traditional Name: 2-(5-amino-3-methyl-pyrazol-1-yl)-N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]acetamide Formula: C18H25FN5O+ MolecularWeight: 346.422403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)N)CC(=O)NC2CCC[NH+](C2)CC3=CC=CC=C3F

Isomeric SMILES

CC1=NN(C(=C1)N)CC(=O)N[C@H]2CCC[NH+](C2)CC3=CC=CC=C3F

InChI

InChI=1S/C18H24FN5O/c1-13-9-17(20)24(22-13)12-18(25)21-15-6-4-8-23(11-15)10-14-5-2-3-7-16(14)19/h2-3,5,7,9,15H,4,6,8,10-12,20H2,1H3,(H,21,25)/p+1/t15-/m0/s1