ethyl 6-bromanyl-1-cyclohexyl-2-[(4-methylpiperazin-4-ium-1-yl)methyl]-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-cyclohexyl-2-[(4-methylpiperazin-4-ium-1-yl)methyl]-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-cyclohexyl-5-hydroxy-2-[(4-methylpiperazin-4-ium-1-yl)methyl]indole-3-carboxylate CAS Name: 6-bromo-1-cyclohexyl-5-hydroxy-2-[(4-methyl-1-piperazin-4-iumyl)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-cyclohexyl-5-hydroxy-2-[(4-methylpiperazin-4-ium-1-yl)methyl]indole-3-carboxylate Traditional Name: 6-bromo-1-cyclohexyl-5-hydroxy-2-[(4-methylpiperazin-4-ium-1-yl)methyl]indole-3-carboxylic acid ethyl ester Formula: C23H33BrN3O3+ MolecularWeight: 479.43042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3CCCCC3)CN4CC[NH+](CC4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3CCCCC3)CN4CC[NH+](CC4)C

InChI

InChI=1S/C23H32BrN3O3/c1-3-30-23(29)22-17-13-21(28)18(24)14-19(17)27(16-7-5-4-6-8-16)20(22)15-26-11-9-25(2)10-12-26/h13-14,16,28H,3-12,15H2,1-2H3/p+1