methyl 5-chloranyl-3-[[(2R)-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-chloranyl-3-[[(2R)-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylate Openeye Name: methyl 5-chloro-3-[[(2R)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[[(2R)-2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-3-[[(2R)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-[[(2R)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C24H27Cl2N4O3+ MolecularWeight: 490.40218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)C(C)C(=O)NC3=C(NC4=C3C=C(C=C4)Cl)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)[C@H](C)C(=O)NC3=C(NC4=C3C=C(C=C4)Cl)C(=O)OC

InChI

InChI=1S/C24H26Cl2N4O3/c1-14-4-5-17(26)13-20(14)30-10-8-29(9-11-30)15(2)23(31)28-21-18-12-16(25)6-7-19(18)27-22(21)24(32)33-3/h4-7,12-13,15,27H,8-11H2,1-3H3,(H,28,31)/p+1/t15-/m1/s1