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

Systemtic Name: N-[2-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: N-[2-[1-[[(4S)-4-isopropenylcyclohexen-1-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide CAS Name: N-[2-[1-[[(4S)-4-(1-methylethenyl)-1-cyclohexenyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: N-[2-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Traditional Name: N-[2-[1-[[(4S)-4-isopropenylcyclohexen-1-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]nicotinamide Formula: C24H32N5O+ MolecularWeight: 406.54378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC(=CC1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CN=CC=C4

Isomeric SMILES

CC(=C)[C@H]1CCC(=CC1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C24H31N5O/c1-18(2)20-7-5-19(6-8-20)17-28-14-10-22(11-15-28)29-23(9-13-26-29)27-24(30)21-4-3-12-25-16-21/h3-5,9,12-13,16,20,22H,1,6-8,10-11,14-15,17H2,2H3,(H,27,30)/p+1/t20-/m1/s1