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

Systemtic Name: [2-[4-(4-cyano-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-3-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-propan-2-yl-azanium Openeye Name: [2-[4-(4-cyano-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-3-yl)piperazin-1-yl]-2-oxo-ethyl]-isopropyl-ammonium CAS Name: [2-[4-(4-cyano-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-3-yl)-1-piperazinyl]-2-oxoethyl]-propan-2-ylammonium IUPAC Name: [2-[4-(4-cyano-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-3-yl)piperazin-1-yl]-2-oxoethyl]-propan-2-ylazanium Traditional Name: [2-[4-(4-cyano-1-phenyl-2-pyrindan-2-ium-3-yl)piperazino]-2-keto-ethyl]-isopropyl-ammonium Formula: C24H31N5O+2 MolecularWeight: 405.53584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CC(=O)N1CCN(CC1)C2=[NH+]C(=C3CCCC3=C2C#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)[NH2+]CC(=O)N1CCN(CC1)C2=[NH+]C(=C3CCCC3=C2C#N)C4=CC=CC=C4

InChI

InChI=1S/C24H29N5O/c1-17(2)26-16-22(30)28-11-13-29(14-12-28)24-21(15-25)19-9-6-10-20(19)23(27-24)18-7-4-3-5-8-18/h3-5,7-8,17,26H,6,9-14,16H2,1-2H3/p+2