(1S)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]cyclohex-3-ene-1-carboxamide

Systemtic Name: (1S)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]cyclohex-3-ene-1-carboxamide Openeye Name: (1S)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]cyclohex-3-ene-1-carboxamide CAS Name: (1S)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-1-cyclohex-3-enecarboxamide IUPAC Name: (1S)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]cyclohex-3-ene-1-carboxamide Traditional Name: (1S)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]cyclohex-3-ene-1-carboxamide Formula: C17H25N4O+ MolecularWeight: 301.4066

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3CCC=CC3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)[C@H]3CCC=CC3

InChI

InChI=1S/C17H24N4O/c1-20-9-11-21(12-10-20)16-8-7-15(13-18-16)19-17(22)14-5-3-2-4-6-14/h2-3,7-8,13-14H,4-6,9-12H2,1H3,(H,19,22)/p+1/t14-/m1/s1