[4-methoxy-2-[1-[(2R)-4-methylsulfanylbutan-2-yl]piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-methoxy-2-[1-[(2R)-4-methylsulfanylbutan-2-yl]piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-methoxy-2-[1-[(1R)-1-methyl-3-methylsulfanyl-propyl]piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-methoxy-2-[[1-[(2R)-4-(methylthio)butan-2-yl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-methoxy-2-[1-[(2R)-4-methylsulfanylbutan-2-yl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-methoxy-2-[1-[(1R)-1-methyl-3-(methylthio)propyl]piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidino-methanone Formula: C22H35N2O3S+ MolecularWeight: 407.5899

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCSC)[NH+]1CCC(CC1)OC2=C(C=CC(=C2)OC)C(=O)N3CCCC3

Isomeric SMILES

C[C@H](CCSC)[NH+]1CCC(CC1)OC2=C(C=CC(=C2)OC)C(=O)N3CCCC3

InChI

InChI=1S/C22H34N2O3S/c1-17(10-15-28-3)23-13-8-18(9-14-23)27-21-16-19(26-2)6-7-20(21)22(25)24-11-4-5-12-24/h6-7,16-18H,4-5,8-15H2,1-3H3/p+1/t17-/m1/s1