(E)-carbamothioyl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(2-methyl-2-pyridin-3-yl-cyclohexylidene)azanium

Systemtic Name: (E)-carbamothioyl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(2-methyl-2-pyridin-3-yl-cyclohexylidene)azanium Openeye Name: (E)-carbamothioyl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[2-methyl-2-(3-pyridyl)cyclohexylidene]ammonium CAS Name: (E)-carbamothioyl-[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]-[2-methyl-2-(3-pyridinyl)cyclohexylidene]ammonium IUPAC Name: (E)-carbamothioyl-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(2-methyl-2-pyridin-3-ylcyclohexylidene)azanium Traditional Name: (E)-[(2S)-2-(methoxymethyl)pyrrolidino]-[2-methyl-2-(3-pyridyl)cyclohexylidene]-thiocarbamoyl-ammonium Formula: C19H29N4OS+ MolecularWeight: 361.52476

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1=[N+](C(=S)N)N2CCCC2COC)C3=CN=CC=C3

Isomeric SMILES

CC\1(CCCC/C1=[N+](/C(=S)N)\N2CCC[C@H]2COC)C3=CN=CC=C3

InChI

InChI=1S/C19H28N4OS/c1-19(15-7-5-11-21-13-15)10-4-3-9-17(19)23(18(20)25)22-12-6-8-16(22)14-24-2/h5,7,11,13,16H,3-4,6,8-10,12,14H2,1-2H3,(H-,20,25)/p+1/b23-17+/t16-,19?/m0/s1