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

Systemtic Name: 3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-1-propyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile Openeye Name: 3-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-1-propyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile CAS Name: 3-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]-1-propyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile IUPAC Name: 3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)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-pyrrolidino-ethyl)piperazin-4-ium-1-yl]-1-propyl-2-pyrindan-2-ium-4-carbonitrile Formula: C22H33N5O+2 MolecularWeight: 383.53032

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2CCCC2=C(C(=[NH+]1)N3CC[NH+](CC3)CC(=O)N4CCCC4)C#N

Isomeric SMILES

CCCC1=C2CCCC2=C(C(=[NH+]1)N3CC[NH+](CC3)CC(=O)N4CCCC4)C#N

InChI

InChI=1S/C22H31N5O/c1-2-6-20-18-8-5-7-17(18)19(15-23)22(24-20)27-13-11-25(12-14-27)16-21(28)26-9-3-4-10-26/h2-14,16H2,1H3/p+2