[2-(cyclohexylamino)-3-phenyl-propyl]oxidanium; 3-ethanoylsulfanyl-2-methyl-propanoate

Systemtic Name: [2-(cyclohexylamino)-3-phenyl-propyl]oxidanium; 3-ethanoylsulfanyl-2-methyl-propanoate Openeye Name: 3-acetylsulfanyl-2-methyl-propanoate; [2-(cyclohexylamino)-3-phenyl-propyl]oxonium CAS Name: 3-(acetylthio)-2-methylpropanoate; [2-(cyclohexylamino)-3-phenylpropyl]oxonium IUPAC Name: 3-acetylsulfanyl-2-methylpropanoate; [2-(cyclohexylamino)-3-phenylpropyl]oxidanium Traditional Name: 3-(acetylthio)-2-methyl-propionate; [2-(cyclohexylamino)-3-phenyl-propyl]oxonium Formula: C21H33NO4S MolecularWeight: 395.55602

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)[O-].C1CCC(CC1)NC(CC2=CC=CC=C2)C[OH2+]

Isomeric SMILES

CC(CSC(=O)C)C(=O)[O-].C1CCC(CC1)NC(CC2=CC=CC=C2)C[OH2+]

InChI

InChI=1S/C15H23NO.C6H10O3S/c17-12-15(11-13-7-3-1-4-8-13)16-14-9-5-2-6-10-14;1-4(6(8)9)3-10-5(2)7/h1,3-4,7-8,14-17H,2,5-6,9-12H2;4H,3H2,1-2H3,(H,8,9)