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

Systemtic Name: ethyl 1-butyl-2-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 1-butyl-5-hydroxy-2-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]indole-3-carboxylate CAS Name: 1-butyl-5-hydroxy-2-methyl-4-[(4-methyl-1-piperazin-4-iumyl)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-butyl-5-hydroxy-2-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]indole-3-carboxylate Traditional Name: 1-butyl-5-hydroxy-2-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]indole-3-carboxylic acid ethyl ester Formula: C22H34N3O3+ MolecularWeight: 388.52366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=C1C=CC(=C2CN3CC[NH+](CC3)C)O)C(=O)OCC)C

Isomeric SMILES

CCCCN1C(=C(C2=C1C=CC(=C2CN3CC[NH+](CC3)C)O)C(=O)OCC)C

InChI

InChI=1S/C22H33N3O3/c1-5-7-10-25-16(3)20(22(27)28-6-2)21-17(19(26)9-8-18(21)25)15-24-13-11-23(4)12-14-24/h8-9,26H,5-7,10-15H2,1-4H3/p+1