(2S)-2-(3-methoxypropylazaniumyl)-2-(2-methyl-1H-indol-3-yl)ethanoate

Systemtic Name: (2S)-2-(3-methoxypropylazaniumyl)-2-(2-methyl-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-(3-methoxypropylammonio)-2-(2-methyl-1H-indol-3-yl)acetate CAS Name: (2S)-2-(3-methoxypropylammonio)-2-(2-methyl-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-(3-methoxypropylazaniumyl)-2-(2-methyl-1H-indol-3-yl)acetate Traditional Name: (2S)-2-(3-methoxypropylammonio)-2-(2-methyl-1H-indol-3-yl)acetate Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C(=O)[O-])[NH2+]CCCOC

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@@H](C(=O)[O-])[NH2+]CCCOC

InChI

InChI=1S/C15H20N2O3/c1-10-13(11-6-3-4-7-12(11)17-10)14(15(18)19)16-8-5-9-20-2/h3-4,6-7,14,16-17H,5,8-9H2,1-2H3,(H,18,19)/t14-/m0/s1