(3S)-1-[(4-oxidanylidene-1H-quinolin-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(4-oxidanylidene-1H-quinolin-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(4-oxo-1H-quinolin-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(4-oxo-1H-quinolin-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(4-oxo-1H-quinolin-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(4-keto-1H-quinolin-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Formula: C25H26N5O2+ MolecularWeight: 428.50624

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC(=O)C3=CC=CC=C3N2)C(=O)NC4=CC=C(C=C4)C5=CC=NN5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC(=O)C3=CC=CC=C3N2)C(=O)NC4=CC=C(C=C4)C5=CC=NN5

InChI

InChI=1S/C25H25N5O2/c31-24-14-20(27-23-6-2-1-5-21(23)24)16-30-13-3-4-18(15-30)25(32)28-19-9-7-17(8-10-19)22-11-12-26-29-22/h1-2,5-12,14,18H,3-4,13,15-16H2,(H,26,29)(H,27,31)(H,28,32)/p+1/t18-/m0/s1