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

Systemtic Name: 2-chloranyl-N-[2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 2-chloro-N-[2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 2-chloro-N-[2-[1-[[(1S)-1-cyclohex-3-enyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 2-chloro-N-[2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 2-chloro-N-[2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C22H28ClN4O+ MolecularWeight: 399.93692

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1C[C@@H](CC=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H27ClN4O/c23-20-9-5-4-8-19(20)22(28)25-21-10-13-24-27(21)18-11-14-26(15-12-18)16-17-6-2-1-3-7-17/h1-2,4-5,8-10,13,17-18H,3,6-7,11-12,14-16H2,(H,25,28)/p+1/t17-/m1/s1