(2S)-2-azaniumyl-3-[4-(3-methylbut-2-enyl)-1H-indol-3-yl]propanoate

Systemtic Name: (2S)-2-azaniumyl-3-[4-(3-methylbut-2-enyl)-1H-indol-3-yl]propanoate Openeye Name: (2S)-2-azaniumyl-3-[4-(3-methylbut-2-enyl)-1H-indol-3-yl]propanoate CAS Name: (2S)-2-ammonio-3-[4-(3-methylbut-2-enyl)-1H-indol-3-yl]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[4-(3-methylbut-2-enyl)-1H-indol-3-yl]propanoate Traditional Name: (2S)-2-ammonio-3-[4-(3-methylbut-2-enyl)-1H-indol-3-yl]propionate Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1=C2C(=CC=C1)NC=C2CC(C(=O)[O-])[NH3+])C

Isomeric SMILES

CC(=CCC1=C2C(=CC=C1)NC=C2C[C@@H](C(=O)[O-])[NH3+])C

InChI

InChI=1S/C16H20N2O2/c1-10(2)6-7-11-4-3-5-14-15(11)12(9-18-14)8-13(17)16(19)20/h3-6,9,13,18H,7-8,17H2,1-2H3,(H,19,20)/t13-/m0/s1