N-[2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide

Systemtic Name: N-[2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: N-[2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide CAS Name: N-[2-[1-[[(1S)-1-cyclohex-3-enyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: N-[2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Traditional Name: N-[2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]nicotinamide Formula: C21H28N5O+ MolecularWeight: 366.47992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CN=CC=C4

Isomeric SMILES

C1C[C@@H](CC=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H27N5O/c27-21(18-7-4-11-22-15-18)24-20-8-12-23-26(20)19-9-13-25(14-10-19)16-17-5-2-1-3-6-17/h1-2,4,7-8,11-12,15,17,19H,3,5-6,9-10,13-14,16H2,(H,24,27)/p+1/t17-/m1/s1