ethyl 3-[[(2S)-2-(4-ethylpiperazin-1-ium-1-yl)propanoyl]amino]-5-methoxy-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[[(2S)-2-(4-ethylpiperazin-1-ium-1-yl)propanoyl]amino]-5-methoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[(2S)-2-(4-ethylpiperazin-1-ium-1-yl)propanoyl]amino]-5-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[(2S)-2-(4-ethyl-1-piperazin-1-iumyl)-1-oxopropyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(2S)-2-(4-ethylpiperazin-1-ium-1-yl)propanoyl]amino]-5-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[[(2S)-2-(4-ethylpiperazin-1-ium-1-yl)propanoyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C21H31N4O4+ MolecularWeight: 403.49524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)C(C)C(=O)NC2=C(NC3=C2C=C(C=C3)OC)C(=O)OCC

Isomeric SMILES

CCN1CC[NH+](CC1)[C@@H](C)C(=O)NC2=C(NC3=C2C=C(C=C3)OC)C(=O)OCC

InChI

InChI=1S/C21H30N4O4/c1-5-24-9-11-25(12-10-24)14(3)20(26)23-18-16-13-15(28-4)7-8-17(16)22-19(18)21(27)29-6-2/h7-8,13-14,22H,5-6,9-12H2,1-4H3,(H,23,26)/p+1/t14-/m0/s1