4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide CAS Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide Traditional Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Formula: C27H32N3O4S+ MolecularWeight: 494.62568

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC4=CC=CC=C43)C5=CC=CO5

Isomeric SMILES

C1CC[NH+](CC1)[C@H](CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC4=CC=CC=C43)C5=CC=CO5

InChI

InChI=1S/C27H31N3O4S/c31-27(28-20-25(26-11-7-19-34-26)29-16-4-1-5-17-29)22-12-14-23(15-13-22)35(32,33)30-18-6-9-21-8-2-3-10-24(21)30/h2-3,7-8,10-15,19,25H,1,4-6,9,16-18,20H2,(H,28,31)/p+1/t25-/m1/s1