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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2CCCC2=C(C(=[NH+]1)N3CC[NH+](CC3)CC(=O)N4CCOCC4)C#N

Isomeric SMILES

CCCC1=C2CCCC2=C(C(=[NH+]1)N3CC[NH+](CC3)CC(=O)N4CCOCC4)C#N

InChI

InChI=1S/C22H31N5O2/c1-2-4-20-18-6-3-5-17(18)19(15-23)22(24-20)27-9-7-25(8-10-27)16-21(28)26-11-13-29-14-12-26/h2-14,16H2,1H3/p+2