(3S)-N-[4-(2-methylimidazol-1-yl)phenyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[4-(2-methylimidazol-1-yl)phenyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[4-(2-methylimidazol-1-yl)phenyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-(2-methyl-1-imidazolyl)phenyl]-1-[(3-methyl-2-quinoxalinyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(2-methylimidazol-1-yl)phenyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[4-(2-methylimidazol-1-yl)phenyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C26H29N6O+ MolecularWeight: 441.54806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1C[NH+]3CCCC(C3)C(=O)NC4=CC=C(C=C4)N5C=CN=C5C

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1C[NH+]3CCC[C@@H](C3)C(=O)NC4=CC=C(C=C4)N5C=CN=C5C

InChI

InChI=1S/C26H28N6O/c1-18-25(30-24-8-4-3-7-23(24)28-18)17-31-14-5-6-20(16-31)26(33)29-21-9-11-22(12-10-21)32-15-13-27-19(32)2/h3-4,7-13,15,20H,5-6,14,16-17H2,1-2H3,(H,29,33)/p+1/t20-/m0/s1