(3S)-1-[(4-acetamidophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(4-acetamidophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(4-acetamidophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(4-acetamidophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(4-acetamidophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(4-acetamidobenzyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Formula: C24H28N5O2+ MolecularWeight: 418.51142

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCCC(C2)C(=O)NC3=CC=C(C=C3)C4=CC=NN4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=C(C=C3)C4=CC=NN4

InChI

InChI=1S/C24H27N5O2/c1-17(30)26-21-8-4-18(5-9-21)15-29-14-2-3-20(16-29)24(31)27-22-10-6-19(7-11-22)23-12-13-25-28-23/h4-13,20H,2-3,14-16H2,1H3,(H,25,28)(H,26,30)(H,27,31)/p+1/t20-/m0/s1