N-(2-chlorophenyl)-3-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-(2-chlorophenyl)-3-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: N-(2-chlorophenyl)-3-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]propanamide CAS Name: N-(2-chlorophenyl)-3-[1-[[(1S)-1-cyclohex-3-enyl]methyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(2-chlorophenyl)-3-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-(2-chlorophenyl)-3-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]propionamide Formula: C21H30ClN2O+ MolecularWeight: 361.9287

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C[NH+]2CCC(CC2)CCC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

C1C[C@@H](CC=C1)C[NH+]2CCC(CC2)CCC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C21H29ClN2O/c22-19-8-4-5-9-20(19)23-21(25)11-10-17-12-14-24(15-13-17)16-18-6-2-1-3-7-18/h1-2,4-5,8-9,17-18H,3,6-7,10-16H2,(H,23,25)/p+1/t18-/m1/s1