1-(2-piperidin-1-ium-1-ylethyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one

Systemtic Name: 1-(2-piperidin-1-ium-1-ylethyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one Openeye Name: 1-(2-piperidin-1-ium-1-ylethyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one CAS Name: 1-[2-(1-piperidin-1-iumyl)ethyl]-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one IUPAC Name: 1-(2-piperidin-1-ium-1-ylethyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one Traditional Name: 1-(2-piperidin-1-ium-1-ylethyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one Formula: C29H40N5O+3 MolecularWeight: 474.6608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=CC4=C(CCC4)C=C3C=C(C2=O)C[NH+]5CCN(CC5)C6=CC=CC=[NH+]6

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=CC4=C(CCC4)C=C3C=C(C2=O)C[NH+]5CCN(CC5)C6=CC=CC=[NH+]6

InChI

InChI=1S/C29H37N5O/c35-29-26(22-32-13-16-33(17-14-32)28-9-2-3-10-30-28)20-25-19-23-7-6-8-24(23)21-27(25)34(29)18-15-31-11-4-1-5-12-31/h2-3,9-10,19-21H,1,4-8,11-18,22H2/p+3