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

Systemtic Name: [2-(cyclopentylamino)-3-phenyl-propyl]oxidanium; 3-ethanoylsulfanyl-2-methyl-propanoate Openeye Name: 3-acetylsulfanyl-2-methyl-propanoate; [2-(cyclopentylamino)-3-phenyl-propyl]oxonium CAS Name: 3-(acetylthio)-2-methylpropanoate; [2-(cyclopentylamino)-3-phenylpropyl]oxonium IUPAC Name: 3-acetylsulfanyl-2-methylpropanoate; [2-(cyclopentylamino)-3-phenylpropyl]oxidanium Traditional Name: 3-(acetylthio)-2-methyl-propionate; [2-(cyclopentylamino)-3-phenyl-propyl]oxonium Formula: C20H31NO4S MolecularWeight: 381.52944

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)[O-].C1CCC(C1)NC(CC2=CC=CC=C2)C[OH2+]

Isomeric SMILES

CC(CSC(=O)C)C(=O)[O-].C1CCC(C1)NC(CC2=CC=CC=C2)C[OH2+]

InChI

InChI=1S/C14H21NO.C6H10O3S/c16-11-14(15-13-8-4-5-9-13)10-12-6-2-1-3-7-12;1-4(6(8)9)3-10-5(2)7/h1-3,6-7,13-16H,4-5,8-11H2;4H,3H2,1-2H3,(H,8,9)