(2S,4R)-N-methyl-4-[(4-methylsulfanylphenyl)methylamino]-1-(1-propylpiperidin-4-yl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-N-methyl-4-[(4-methylsulfanylphenyl)methylamino]-1-(1-propylpiperidin-4-yl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-N-methyl-4-[(4-methylsulfanylphenyl)methylamino]-1-(1-propyl-4-piperidyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-N-methyl-4-[[4-(methylthio)phenyl]methylamino]-1-(1-propyl-4-piperidinyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-N-methyl-4-[(4-methylsulfanylphenyl)methylamino]-1-(1-propylpiperidin-4-yl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-N-methyl-4-[[4-(methylthio)benzyl]amino]-1-(1-propyl-4-piperidyl)pyrrolidin-1-ium-2-carboxamide Formula: C22H37N4OS+ MolecularWeight: 405.62038

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)[NH+]2CC(CC2C(=O)NC)NCC3=CC=C(C=C3)SC

Isomeric SMILES

CCCN1CCC(CC1)[NH+]2C[C@@H](C[C@H]2C(=O)NC)NCC3=CC=C(C=C3)SC

InChI

InChI=1S/C22H36N4OS/c1-4-11-25-12-9-19(10-13-25)26-16-18(14-21(26)22(27)23-2)24-15-17-5-7-20(28-3)8-6-17/h5-8,18-19,21,24H,4,9-16H2,1-3H3,(H,23,27)/p+1/t18-,21+/m1/s1