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

Systemtic Name: 2-methoxy-N-[2-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: N-[2-[1-[[(4S)-4-isopropenylcyclohexen-1-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide CAS Name: 2-methoxy-N-[2-[1-[[(4S)-4-(1-methylethenyl)-1-cyclohexenyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 2-methoxy-N-[2-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: N-[2-[1-[[(4S)-4-isopropenylcyclohexen-1-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide Formula: C26H35N4O2+ MolecularWeight: 435.5817

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC(=CC1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4OC

Isomeric SMILES

CC(=C)[C@H]1CCC(=CC1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4OC

InChI

InChI=1S/C26H34N4O2/c1-19(2)21-10-8-20(9-11-21)18-29-16-13-22(14-17-29)30-25(12-15-27-30)28-26(31)23-6-4-5-7-24(23)32-3/h4-8,12,15,21-22H,1,9-11,13-14,16-18H2,2-3H3,(H,28,31)/p+1/t21-/m1/s1