ethyl 1,2-dimethyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 1,2-dimethyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 5-hydroxy-1,2-dimethyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]indole-3-carboxylate CAS Name: 5-hydroxy-1,2-dimethyl-4-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-1,2-dimethyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]indole-3-carboxylate Traditional Name: 5-hydroxy-1,2-dimethyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]indole-3-carboxylic acid ethyl ester Formula: C19H29N3O3+2 MolecularWeight: 347.45186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)C[NH+]3CC[NH+](CC3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)C[NH+]3CC[NH+](CC3)C)C)C

InChI

InChI=1S/C19H27N3O3/c1-5-25-19(24)17-13(2)21(4)15-6-7-16(23)14(18(15)17)12-22-10-8-20(3)9-11-22/h6-7,23H,5,8-12H2,1-4H3/p+2