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

Systemtic Name: (3S)-N-[2-[1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]oxolane-3-carboxamide Openeye Name: (3S)-N-[2-[1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]tetrahydrofuran-3-carboxamide CAS Name: (3S)-N-[2-[1-[(3-methyl-1-propyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-oxolanecarboxamide IUPAC Name: (3S)-N-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]oxolane-3-carboxamide Traditional Name: (3S)-N-[2-[1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]tetrahydrofuran-3-carboxamide Formula: C21H33N6O2+ MolecularWeight: 401.52572

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)C)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CCOC4

Isomeric SMILES

CCCN1C=C(C(=N1)C)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)[C@H]4CCOC4

InChI

InChI=1S/C21H32N6O2/c1-3-9-26-14-18(16(2)24-26)13-25-10-5-19(6-11-25)27-20(4-8-22-27)23-21(28)17-7-12-29-15-17/h4,8,14,17,19H,3,5-7,9-13,15H2,1-2H3,(H,23,28)/p+1/t17-/m0/s1