methyl 4-methyl-3-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 4-methyl-3-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 4-methyl-3-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 4-methyl-3-[[1-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 4-methyl-3-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C22H27N5O3+2 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)NC(=C2NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C(=O)OC

Isomeric SMILES

CC1=C2C(=CC=C1)NC(=C2NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C(=O)OC

InChI

InChI=1S/C22H25N5O3/c1-15-6-5-7-16-19(15)20(21(24-16)22(29)30-2)25-18(28)14-26-10-12-27(13-11-26)17-8-3-4-9-23-17/h3-9,24H,10-14H2,1-2H3,(H,25,28)/p+2