(3S)-1-[(3-methylquinoxalin-2-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(3-methylquinoxalin-2-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(3-methylquinoxalin-2-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(3-methyl-2-quinoxalinyl)methyl]-N-[3-(1-pyrazolyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(3-methylquinoxalin-2-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(3-methylquinoxalin-2-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Formula: C25H27N6O+ MolecularWeight: 427.52148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1C[NH+]3CCCC(C3)C(=O)NC4=CC=CC(=C4)N5C=CC=N5

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1C[NH+]3CCC[C@@H](C3)C(=O)NC4=CC=CC(=C4)N5C=CC=N5

InChI

InChI=1S/C25H26N6O/c1-18-24(29-23-11-3-2-10-22(23)27-18)17-30-13-5-7-19(16-30)25(32)28-20-8-4-9-21(15-20)31-14-6-12-26-31/h2-4,6,8-12,14-15,19H,5,7,13,16-17H2,1H3,(H,28,32)/p+1/t19-/m0/s1