ethyl 6-bromanyl-5-methoxy-1-methyl-2-(piperazine-1,4-diium-1-ylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-5-methoxy-1-methyl-2-(piperazine-1,4-diium-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-methoxy-1-methyl-2-(piperazine-1,4-diium-1-ylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-methoxy-1-methyl-2-(1-piperazine-1,4-diiumylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-methoxy-1-methyl-2-(piperazine-1,4-diium-1-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-5-methoxy-1-methyl-2-(piperazine-1,4-diium-1-ylmethyl)indole-3-carboxylic acid ethyl ester Formula: C18H26BrN3O3+2 MolecularWeight: 412.32134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)C[NH+]3CC[NH2+]CC3

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)C[NH+]3CC[NH2+]CC3

InChI

InChI=1S/C18H24BrN3O3/c1-4-25-18(23)17-12-9-16(24-3)13(19)10-14(12)21(2)15(17)11-22-7-5-20-6-8-22/h9-10,20H,4-8,11H2,1-3H3/p+2