3-[2-[3-(diethylazaniumyl)propylamino]-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylate

Systemtic Name: 3-[2-[3-(diethylazaniumyl)propylamino]-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylate Openeye Name: 3-[2-[3-(diethylammonio)propylamino]-2-oxo-ethyl]-1-methyl-indole-2-carboxylate CAS Name: 3-[2-[3-(diethylammonio)propylamino]-2-oxoethyl]-1-methyl-2-indolecarboxylate IUPAC Name: 3-[2-[3-(diethylazaniumyl)propylamino]-2-oxoethyl]-1-methylindole-2-carboxylate Traditional Name: 3-[2-[3-(diethylammonio)propylamino]-2-keto-ethyl]-1-methyl-indole-2-carboxylate Formula: C19H27N3O3 MolecularWeight: 345.43598

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)CC1=C(N(C2=CC=CC=C21)C)C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)CC1=C(N(C2=CC=CC=C21)C)C(=O)[O-]

InChI

InChI=1S/C19H27N3O3/c1-4-22(5-2)12-8-11-20-17(23)13-15-14-9-6-7-10-16(14)21(3)18(15)19(24)25/h6-7,9-10H,4-5,8,11-13H2,1-3H3,(H,20,23)(H,24,25)