2-azaniumyl-4-[4-(1H-indol-3-yl)butylsulfanyl]butanoate

Systemtic Name: 2-azaniumyl-4-[4-(1H-indol-3-yl)butylsulfanyl]butanoate Openeye Name: 2-azaniumyl-4-[4-(1H-indol-3-yl)butylsulfanyl]butanoate CAS Name: 2-ammonio-4-[4-(1H-indol-3-yl)butylthio]butanoate IUPAC Name: 2-azaniumyl-4-[4-(1H-indol-3-yl)butylsulfanyl]butanoate Traditional Name: 2-ammonio-4-[4-(1H-indol-3-yl)butylthio]butyrate Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCCCSCCC(C(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCCCSCCC(C(=O)[O-])[NH3+]

InChI

InChI=1S/C16H22N2O2S/c17-14(16(19)20)8-10-21-9-4-3-5-12-11-18-15-7-2-1-6-13(12)15/h1-2,6-7,11,14,18H,3-5,8-10,17H2,(H,19,20)