ethyl 3-[2-(4-ethylpiperazine-1,4-diium-1-yl)ethanoylamino]-5-methoxy-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[2-(4-ethylpiperazine-1,4-diium-1-yl)ethanoylamino]-5-methoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[2-(4-ethylpiperazine-1,4-diium-1-yl)acetyl]amino]-5-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[2-(4-ethyl-1-piperazine-1,4-diiumyl)-1-oxoethyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-ethylpiperazine-1,4-diium-1-yl)acetyl]amino]-5-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-ethylpiperazine-1,4-diium-1-yl)acetyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C20H30N4O4+2 MolecularWeight: 390.4766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O4/c1-4-23-8-10-24(11-9-23)13-17(25)22-18-15-12-14(27-3)6-7-16(15)21-19(18)20(26)28-5-2/h6-7,12,21H,4-5,8-11,13H2,1-3H3,(H,22,25)/p+2