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

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

Systemtic Name:2-azaniumyl-4-[3-(1H-indol-3-yl)propylsulfanyl]butanoate
Openeye Name:2-azaniumyl-4-[3-(1H-indol-3-yl)propylsulfanyl]butanoate
CAS Name:2-ammonio-4-[3-(1H-indol-3-yl)propylthio]butanoate
IUPAC Name:2-azaniumyl-4-[3-(1H-indol-3-yl)propylsulfanyl]butanoate
Traditional Name:2-ammonio-4-[3-(1H-indol-3-yl)propylthio]butyrate
Formula: C15H20N2O2S
MolecularWeight: 292.3965
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C15H20N2O2S/c16-13(15(18)19)7-9-20-8-3-4-11-10-17-14-6-2-1-5-12(11)14/h1-2,5-6,10,13,17H,3-4,7-9,16H2,(H,18,19)


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