2-[4-[(1S)-cyclohex-3-en-1-yl]carbonylpiperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[4-[(1S)-cyclohex-3-en-1-yl]carbonylpiperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[[(1S)-1-cyclohex-3-enyl]-oxomethyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3CCC=CC3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)[C@H]3CCC=CC3

InChI

InChI=1S/C21H29N3O2/c1-2-17-8-6-7-11-19(17)22-20(25)16-23-12-14-24(15-13-23)21(26)18-9-4-3-5-10-18/h3-4,6-8,11,18H,2,5,9-10,12-16H2,1H3,(H,22,25)/p+1/t18-/m1/s1