cyclohexylcarbamothioyl-methyl-oxidanyl-phenyl-azanium; 3-cyclononylpyridine

Systemtic Name: cyclohexylcarbamothioyl-methyl-oxidanyl-phenyl-azanium; 3-cyclononylpyridine Openeye Name: cyclohexylcarbamothioyl-hydroxy-methyl-phenyl-ammonium; 3-cyclononylpyridine CAS Name: [(cyclohexylamino)-sulfanylidenemethyl]-hydroxy-methyl-phenylammonium; 3-cyclononylpyridine IUPAC Name: cyclohexylcarbamothioyl-hydroxy-methyl-phenylazanium; 3-cyclononylpyridine Traditional Name: cyclohexylthiocarbamoyl-hydroxy-methyl-phenyl-ammonium; 3-cyclononylpyridine Formula: C28H42N3OS+ MolecularWeight: 468.71758

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C1=CC=CC=C1)(C(=S)NC2CCCCC2)O.C1CCCCC(CCC1)C2=CN=CC=C2

Isomeric SMILES

C[N+](C1=CC=CC=C1)(C(=S)NC2CCCCC2)O.C1CCCCC(CCC1)C2=CN=CC=C2

InChI

InChI=1S/C14H20N2OS.C14H21N/c1-16(17,13-10-6-3-7-11-13)14(18)15-12-8-4-2-5-9-12;1-2-4-6-9-13(8-5-3-1)14-10-7-11-15-12-14/h3,6-7,10-12,17H,2,4-5,8-9H2,1H3;7,10-13H,1-6,8-9H2/p+1