N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(cyclohexen-1-yl)-N-(2-furylmethyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1-cyclohexenyl)-N-(2-furanylmethyl)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(cyclohexen-1-yl)-N-(2-furfuryl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)N(CC2=CC=CO2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C1CCC(=CC1)N(CC2=CC=CO2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C22H28N4O2/c27-22(18-24-12-14-25(15-13-24)21-10-4-5-11-23-21)26(17-20-9-6-16-28-20)19-7-2-1-3-8-19/h4-7,9-11,16H,1-3,8,12-15,17-18H2/p+1