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

Systemtic Name: (3S)-N-[2-[1-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]oxolane-3-carboxamide Openeye Name: (3S)-N-[2-[1-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]tetrahydrofuran-3-carboxamide CAS Name: (3S)-N-[2-[1-[[5-methyl-2-(1-pyrazolyl)phenyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-oxolanecarboxamide IUPAC Name: (3S)-N-[2-[1-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]oxolane-3-carboxamide Traditional Name: (3S)-N-[2-[1-(5-methyl-2-pyrazol-1-yl-benzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]tetrahydrofuran-3-carboxamide Formula: C24H31N6O2+ MolecularWeight: 435.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CC=N2)C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)C5CCOC5

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CC=N2)C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)[C@H]5CCOC5

InChI

InChI=1S/C24H30N6O2/c1-18-3-4-22(29-11-2-9-25-29)20(15-18)16-28-12-6-21(7-13-28)30-23(5-10-26-30)27-24(31)19-8-14-32-17-19/h2-5,9-11,15,19,21H,6-8,12-14,16-17H2,1H3,(H,27,31)/p+1/t19-/m0/s1