3-ethanoylsulfanyl-2-methyl-propanoate; [2-[(4-methylphenyl)methylamino]-3-phenyl-propyl]oxidanium

Systemtic Name: 3-ethanoylsulfanyl-2-methyl-propanoate; [2-[(4-methylphenyl)methylamino]-3-phenyl-propyl]oxidanium Openeye Name: 3-acetylsulfanyl-2-methyl-propanoate; [3-phenyl-2-(p-tolylmethylamino)propyl]oxonium CAS Name: 3-(acetylthio)-2-methylpropanoate; [2-[(4-methylphenyl)methylamino]-3-phenylpropyl]oxonium IUPAC Name: 3-acetylsulfanyl-2-methylpropanoate; [2-[(4-methylphenyl)methylamino]-3-phenylpropyl]oxidanium Traditional Name: 3-(acetylthio)-2-methyl-propionate; [2-[(4-methylbenzyl)amino]-3-phenyl-propyl]oxonium Formula: C23H31NO4S MolecularWeight: 417.56154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(CC2=CC=CC=C2)C[OH2+].CC(CSC(=O)C)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC(CC2=CC=CC=C2)C[OH2+].CC(CSC(=O)C)C(=O)[O-]

InChI

InChI=1S/C17H21NO.C6H10O3S/c1-14-7-9-16(10-8-14)12-18-17(13-19)11-15-5-3-2-4-6-15;1-4(6(8)9)3-10-5(2)7/h2-10,17-19H,11-13H2,1H3;4H,3H2,1-2H3,(H,8,9)