N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-benzamide

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-benzamide Openeye Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-[2-(isopropylamino)-2-oxo-ethyl]sulfanyl-benzamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide Traditional Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)NCC(C2=CC=CO2)[NH+]3CCCC3

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)NC[C@H](C2=CC=CO2)[NH+]3CCCC3

InChI

InChI=1S/C22H29N3O3S/c1-16(2)24-21(26)15-29-20-10-4-3-8-17(20)22(27)23-14-18(19-9-7-13-28-19)25-11-5-6-12-25/h3-4,7-10,13,16,18H,5-6,11-12,14-15H2,1-2H3,(H,23,27)(H,24,26)/p+1/t18-/m1/s1