6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-1H-quinolin-4-one

Systemtic Name: 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-1H-quinolin-4-one Openeye Name: 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1H-quinolin-4-one CAS Name: 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1H-quinolin-4-one IUPAC Name: 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1H-quinolin-4-one Traditional Name: 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-4-quinolone Formula: C26H30N5O6S+ MolecularWeight: 540.6113

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12OCCO2)S(=O)(=O)C3=CC4=C(C=C3)NC=C(C4=O)C(=O)N5CCN(CC5)C6=CC=CC=[NH+]6

Isomeric SMILES

C1CN(CCC12OCCO2)S(=O)(=O)C3=CC4=C(C=C3)NC=C(C4=O)C(=O)N5CCN(CC5)C6=CC=CC=[NH+]6

InChI

InChI=1S/C26H29N5O6S/c32-24-20-17-19(38(34,35)31-9-6-26(7-10-31)36-15-16-37-26)4-5-22(20)28-18-21(24)25(33)30-13-11-29(12-14-30)23-3-1-2-8-27-23/h1-5,8,17-18H,6-7,9-16H2,(H,28,32)/p+1