ethyl 6-bromanyl-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-5-oxidanyl-1-(phenylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-5-oxidanyl-1-(phenylmethyl)indole-3-carboxylate Openeye Name: ethyl 1-benzyl-6-bromo-5-hydroxy-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-2-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1-(phenylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-6-bromo-5-hydroxy-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]indole-3-carboxylate Traditional Name: 1-benzyl-6-bromo-5-hydroxy-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]indole-3-carboxylic acid ethyl ester Formula: C24H30BrN3O3+2 MolecularWeight: 488.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)CC3=CC=CC=C3)C[NH+]4CC[NH+](CC4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)CC3=CC=CC=C3)C[NH+]4CC[NH+](CC4)C

InChI

InChI=1S/C24H28BrN3O3/c1-3-31-24(30)23-18-13-22(29)19(25)14-20(18)28(15-17-7-5-4-6-8-17)21(23)16-27-11-9-26(2)10-12-27/h4-8,13-14,29H,3,9-12,15-16H2,1-2H3/p+2