N-[2-(cyclohexen-1-yl)ethyl]-2-[(2R)-3-oxidanylidene-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(2R)-3-oxidanylidene-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(2R)-3-oxo-1-(3-pyridylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[(2R)-3-oxo-1-(3-pyridinylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(2R)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(2R)-3-keto-1-(3-pyridylmethyl)piperazin-1-ium-2-yl]acetamide Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)CC2C(=O)NCC[NH+]2CC3=CN=CC=C3

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CN=CC=C3

InChI

InChI=1S/C20H28N4O2/c25-19(22-10-8-16-5-2-1-3-6-16)13-18-20(26)23-11-12-24(18)15-17-7-4-9-21-14-17/h4-5,7,9,14,18H,1-3,6,8,10-13,15H2,(H,22,25)(H,23,26)/p+1/t18-/m1/s1