1-[(3-methylquinoxalin-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3-methylquinoxalin-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-methylquinoxalin-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-methyl-2-quinoxalinyl)methyl]-N-[4-(1-pyrazolyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-methylquinoxalin-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[(3-methylquinoxalin-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide Formula: C25H27N6O+ MolecularWeight: 427.52148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1C[NH+]3CCC(CC3)C(=O)NC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1C[NH+]3CCC(CC3)C(=O)NC4=CC=C(C=C4)N5C=CC=N5

InChI

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