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

Systemtic Name: (3S)-N-[2-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]oxolane-3-carboxamide Openeye Name: (3S)-N-[2-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]tetrahydrofuran-3-carboxamide CAS Name: (3S)-N-[2-[1-[(3-methyl-2-quinoxalinyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-oxolanecarboxamide IUPAC Name: (3S)-N-[2-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]oxolane-3-carboxamide Traditional Name: (3S)-N-[2-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]tetrahydrofuran-3-carboxamide Formula: C23H29N6O2+ MolecularWeight: 421.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)C5CCOC5

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)[C@H]5CCOC5

InChI

InChI=1S/C23H28N6O2/c1-16-21(26-20-5-3-2-4-19(20)25-16)14-28-11-7-18(8-12-28)29-22(6-10-24-29)27-23(30)17-9-13-31-15-17/h2-6,10,17-18H,7-9,11-15H2,1H3,(H,27,30)/p+1/t17-/m0/s1