[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]methanone

Systemtic Name: [4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]methanone Openeye Name: [4-(2-furylmethyl)piperazin-4-ium-1-yl]-[1-[(3-methyl-8-quinolyl)sulfonyl]-4-piperidyl]methanone CAS Name: [4-(2-furanylmethyl)-1-piperazin-4-iumyl]-[1-[(3-methyl-8-quinolinyl)sulfonyl]-4-piperidinyl]methanone IUPAC Name: [4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]methanone Traditional Name: [4-(2-furfuryl)piperazin-4-ium-1-yl]-[1-[(3-methyl-8-quinolyl)sulfonyl]-4-piperidyl]methanone Formula: C25H31N4O4S+ MolecularWeight: 483.60304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCC(CC3)C(=O)N4CC[NH+](CC4)CC5=CC=CO5

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCC(CC3)C(=O)N4CC[NH+](CC4)CC5=CC=CO5

InChI

InChI=1S/C25H30N4O4S/c1-19-16-21-4-2-6-23(24(21)26-17-19)34(31,32)29-9-7-20(8-10-29)25(30)28-13-11-27(12-14-28)18-22-5-3-15-33-22/h2-6,15-17,20H,7-14,18H2,1H3/p+1