methyl 3-[3-(4-cyclohexylpiperazine-1,4-diium-1-yl)propanoylamino]-5-methyl-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[3-(4-cyclohexylpiperazine-1,4-diium-1-yl)propanoylamino]-5-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[3-(4-cyclohexylpiperazine-1,4-diium-1-yl)propanoylamino]-5-methyl-1H-indole-2-carboxylate CAS Name: 3-[[3-(4-cyclohexyl-1-piperazine-1,4-diiumyl)-1-oxopropyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-(4-cyclohexylpiperazine-1,4-diium-1-yl)propanoylamino]-5-methyl-1H-indole-2-carboxylate Traditional Name: 3-[3-(4-cyclohexylpiperazine-1,4-diium-1-yl)propanoylamino]-5-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C24H36N4O3+2 MolecularWeight: 428.56764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2NC(=O)CC[NH+]3CC[NH+](CC3)C4CCCCC4)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2NC(=O)CC[NH+]3CC[NH+](CC3)C4CCCCC4)C(=O)OC

InChI

InChI=1S/C24H34N4O3/c1-17-8-9-20-19(16-17)22(23(25-20)24(30)31-2)26-21(29)10-11-27-12-14-28(15-13-27)18-6-4-3-5-7-18/h8-9,16,18,25H,3-7,10-15H2,1-2H3,(H,26,29)/p+2