3-(4-butanoylpiperazin-1-yl)-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile

Systemtic Name: 3-(4-butanoylpiperazin-1-yl)-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile Openeye Name: 3-(4-butanoylpiperazin-1-yl)-1-isobutyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile CAS Name: 1-(2-methylpropyl)-3-[4-(1-oxobutyl)-1-piperazinyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile IUPAC Name: 3-(4-butanoylpiperazin-1-yl)-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile Traditional Name: 3-(4-butyrylpiperazino)-1-isobutyl-2-pyrindan-2-ium-4-carbonitrile Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=[NH+]C(=C3CCCC3=C2C#N)CC(C)C

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=[NH+]C(=C3CCCC3=C2C#N)CC(C)C

InChI

InChI=1S/C21H30N4O/c1-4-6-20(26)24-9-11-25(12-10-24)21-18(14-22)16-7-5-8-17(16)19(23-21)13-15(2)3/h15H,4-13H2,1-3H3/p+1