2-[4-(4-cyano-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-3-yl)piperazin-1-yl]-2-oxidanylidene-N-(3-oxidanylpropyl)ethanamide

Systemtic Name: 2-[4-(4-cyano-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-3-yl)piperazin-1-yl]-2-oxidanylidene-N-(3-oxidanylpropyl)ethanamide Openeye Name: 2-[4-(4-cyano-1-isopropyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-3-yl)piperazin-1-yl]-N-(3-hydroxypropyl)-2-oxo-acetamide CAS Name: 2-[4-(4-cyano-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-3-yl)-1-piperazinyl]-N-(3-hydroxypropyl)-2-oxoacetamide IUPAC Name: 2-[4-(4-cyano-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-3-yl)piperazin-1-yl]-N-(3-hydroxypropyl)-2-oxoacetamide Traditional Name: 2-[4-(4-cyano-1-isopropyl-2-pyrindan-2-ium-3-yl)piperazino]-N-(3-hydroxypropyl)-2-keto-acetamide Formula: C21H30N5O3+ MolecularWeight: 400.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2CCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C(=O)NCCCO)C#N

Isomeric SMILES

CC(C)C1=C2CCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C(=O)NCCCO)C#N

InChI

InChI=1S/C21H29N5O3/c1-14(2)18-16-6-3-5-15(16)17(13-22)19(24-18)25-8-10-26(11-9-25)21(29)20(28)23-7-4-12-27/h14,27H,3-12H2,1-2H3,(H,23,28)/p+1