methyl 5-chloranyl-3-[[(2R)-2-(4-ethylpiperazine-1,4-diium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-chloranyl-3-[[(2R)-2-(4-ethylpiperazine-1,4-diium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate Openeye Name: methyl 5-chloro-3-[[(2R)-2-(4-ethylpiperazine-1,4-diium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[[(2R)-2-(4-ethyl-1-piperazine-1,4-diiumyl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-3-[[(2R)-2-(4-ethylpiperazine-1,4-diium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-[[(2R)-2-(4-ethylpiperazine-1,4-diium-1-yl)propanoyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C19H27ClN4O3+2 MolecularWeight: 394.89568

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)C(C)C(=O)NC2=C(NC3=C2C=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)[C@H](C)C(=O)NC2=C(NC3=C2C=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C19H25ClN4O3/c1-4-23-7-9-24(10-8-23)12(2)18(25)22-16-14-11-13(20)5-6-15(14)21-17(16)19(26)27-3/h5-6,11-12,21H,4,7-10H2,1-3H3,(H,22,25)/p+2/t12-/m1/s1