N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-3-ethanoyl-1H-pyrazole-5-carboxamide

Systemtic Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-3-ethanoyl-1H-pyrazole-5-carboxamide Openeye Name: 3-acetyl-N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-1H-pyrazole-5-carboxamide CAS Name: 3-acetyl-N-[(3S)-1-[(4-chlorophenyl)methyl]-3-piperidin-1-iumyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-acetyl-N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-1H-pyrazole-5-carboxamide Traditional Name: 3-acetyl-N-[(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]-1H-pyrazole-5-carboxamide Formula: C18H22ClN4O2+ MolecularWeight: 361.84588

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NNC(=C1)C(=O)NC2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)C1=NNC(=C1)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H21ClN4O2/c1-12(24)16-9-17(22-21-16)18(25)20-15-3-2-8-23(11-15)10-13-4-6-14(19)7-5-13/h4-7,9,15H,2-3,8,10-11H2,1H3,(H,20,25)(H,21,22)/p+1/t15-/m0/s1