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

Systemtic Name: methyl 6-bromanyl-5-methoxy-1-methyl-2-[(4-methylpiperazin-4-ium-1-yl)methyl]indole-3-carboxylate Openeye Name: methyl 6-bromo-5-methoxy-1-methyl-2-[(4-methylpiperazin-4-ium-1-yl)methyl]indole-3-carboxylate CAS Name: 6-bromo-5-methoxy-1-methyl-2-[(4-methyl-1-piperazin-4-iumyl)methyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 6-bromo-5-methoxy-1-methyl-2-[(4-methylpiperazin-4-ium-1-yl)methyl]indole-3-carboxylate Traditional Name: 6-bromo-5-methoxy-1-methyl-2-[(4-methylpiperazin-4-ium-1-yl)methyl]indole-3-carboxylic acid methyl ester Formula: C18H25BrN3O3+ MolecularWeight: 411.3134

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=C(C3=CC(=C(C=C3N2C)Br)OC)C(=O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=C(C3=CC(=C(C=C3N2C)Br)OC)C(=O)OC

InChI

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