3-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile

Systemtic Name: 3-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile Openeye Name: 1-isopropyl-3-[4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile CAS Name: 3-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile IUPAC Name: 3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-yl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile Traditional Name: 1-isopropyl-3-[4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-yl]-2-pyrindan-2-ium-4-carbonitrile Formula: C22H33N5O2+2 MolecularWeight: 399.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2CCCC2=C(C(=[NH+]1)N3CC[NH+](CC3)CC(=O)N4CCOCC4)C#N

Isomeric SMILES

CC(C)C1=C2CCCC2=C(C(=[NH+]1)N3CC[NH+](CC3)CC(=O)N4CCOCC4)C#N

InChI

InChI=1S/C22H31N5O2/c1-16(2)21-18-5-3-4-17(18)19(14-23)22(24-21)27-8-6-25(7-9-27)15-20(28)26-10-12-29-13-11-26/h16H,3-13,15H2,1-2H3/p+2