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

Systemtic Name: 3-[3-[(diethylazaniumyl)methyl]indol-1-yl]propanoate Openeye Name: 3-[3-[(diethylammonio)methyl]indol-1-yl]propanoate CAS Name: 3-[3-[(diethylammonio)methyl]-1-indolyl]propanoate IUPAC Name: 3-[3-[(diethylazaniumyl)methyl]indol-1-yl]propanoate Traditional Name: 3-[3-[(diethylammonio)methyl]indol-1-yl]propionate Formula: C16H22N2O2 MolecularWeight: 274.35808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O2/c1-3-17(4-2)11-13-12-18(10-9-16(19)20)15-8-6-5-7-14(13)15/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,20)