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

Systemtic Name: 3-ethanoylsulfanyl-2-methyl-propanoate; [3-phenyl-2-(propan-2-ylamino)propyl]oxidanium Openeye Name: 3-acetylsulfanyl-2-methyl-propanoate; [2-(isopropylamino)-3-phenyl-propyl]oxonium CAS Name: 3-(acetylthio)-2-methylpropanoate; [3-phenyl-2-(propan-2-ylamino)propyl]oxonium IUPAC Name: 3-acetylsulfanyl-2-methylpropanoate; [3-phenyl-2-(propan-2-ylamino)propyl]oxidanium Traditional Name: 3-(acetylthio)-2-methyl-propionate; [2-(isopropylamino)-3-phenyl-propyl]oxonium Formula: C18H29NO4S MolecularWeight: 355.49216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(CC1=CC=CC=C1)C[OH2+].CC(CSC(=O)C)C(=O)[O-]

Isomeric SMILES

CC(C)NC(CC1=CC=CC=C1)C[OH2+].CC(CSC(=O)C)C(=O)[O-]

InChI

InChI=1S/C12H19NO.C6H10O3S/c1-10(2)13-12(9-14)8-11-6-4-3-5-7-11;1-4(6(8)9)3-10-5(2)7/h3-7,10,12-14H,8-9H2,1-2H3;4H,3H2,1-2H3,(H,8,9)