3-[3-[(dimethylazaniumyl)methyl]indol-1-yl]propanoate

Systemtic Name: 3-[3-[(dimethylazaniumyl)methyl]indol-1-yl]propanoate Openeye Name: 3-[3-[(dimethylammonio)methyl]indol-1-yl]propanoate CAS Name: 3-[3-[(dimethylammonio)methyl]-1-indolyl]propanoate IUPAC Name: 3-[3-[(dimethylazaniumyl)methyl]indol-1-yl]propanoate Traditional Name: 3-[3-[(dimethylammonio)methyl]indol-1-yl]propionate Formula: C14H18N2O2 MolecularWeight: 246.30492

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CN(C2=CC=CC=C21)CCC(=O)[O-]

Isomeric SMILES

C[NH+](C)CC1=CN(C2=CC=CC=C21)CCC(=O)[O-]

InChI

InChI=1S/C14H18N2O2/c1-15(2)9-11-10-16(8-7-14(17)18)13-6-4-3-5-12(11)13/h3-6,10H,7-9H2,1-2H3,(H,17,18)