[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 4-oxidanylidene-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 4-oxidanylidene-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate Openeye Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 4-oxo-4-tetralin-6-yl-butanoate CAS Name: 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid [2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate Traditional Name: 4-keto-4-tetralin-6-yl-butyric acid [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl] ester Formula: C25H30N3O4+ MolecularWeight: 436.5234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)C(=O)CCC(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)C(=O)CCC(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C25H29N3O4/c29-22(21-9-8-19-5-1-2-6-20(19)17-21)10-11-25(31)32-18-24(30)28-15-13-27(14-16-28)23-7-3-4-12-26-23/h3-4,7-9,12,17H,1-2,5-6,10-11,13-16,18H2/p+1