methanamine; (phenylmethyl) 1-ethyl-1-methyl-indol-1-ium-3-carboxylate

Systemtic Name: methanamine; (phenylmethyl) 1-ethyl-1-methyl-indol-1-ium-3-carboxylate Openeye Name: benzyl 1-ethyl-1-methyl-indol-1-ium-3-carboxylate; methanamine CAS Name: 1-ethyl-1-methyl-3-indol-1-iumcarboxylic acid (phenylmethyl) ester; methanamine IUPAC Name: benzyl 1-ethyl-1-methylindol-1-ium-3-carboxylate; methanamine Traditional Name: 1-ethyl-1-methyl-indol-1-ium-3-carboxylic acid benzyl ester; methylamine Formula: C20H25N2O2+ MolecularWeight: 325.4247

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C=C(C2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)C.CN

Isomeric SMILES

CC[N+]1(C=C(C2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)C.CN

InChI

InChI=1S/C19H20NO2.CH5N/c1-3-20(2)13-17(16-11-7-8-12-18(16)20)19(21)22-14-15-9-5-4-6-10-15;1-2/h4-13H,3,14H2,1-2H3;2H2,1H3/q+1;