1-(1H-indol-3-ylcarbonyl)-1-(4-methylpiperazin-1-yl)-2-propyl-indol-1-ium-3-carboxylate

Systemtic Name: 1-(1H-indol-3-ylcarbonyl)-1-(4-methylpiperazin-1-yl)-2-propyl-indol-1-ium-3-carboxylate Openeye Name: 1-(1H-indole-3-carbonyl)-1-(4-methylpiperazin-1-yl)-2-propyl-indol-1-ium-3-carboxylate CAS Name: 1-[1H-indol-3-yl(oxo)methyl]-1-(4-methyl-1-piperazinyl)-2-propyl-3-indol-1-iumcarboxylate IUPAC Name: 1-(1H-indole-3-carbonyl)-1-(4-methylpiperazin-1-yl)-2-propylindol-1-ium-3-carboxylate Traditional Name: 1-(1H-indole-3-carbonyl)-1-(4-methylpiperazino)-2-propyl-indol-1-ium-3-carboxylate Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=CC=CC=C2[N+]1(C(=O)C3=CNC4=CC=CC=C43)N5CCN(CC5)C)C(=O)[O-]

Isomeric SMILES

CCCC1=C(C2=CC=CC=C2[N+]1(C(=O)C3=CNC4=CC=CC=C43)N5CCN(CC5)C)C(=O)[O-]

InChI

InChI=1S/C26H28N4O3/c1-3-8-23-24(26(32)33)19-10-5-7-12-22(19)30(23,29-15-13-28(2)14-16-29)25(31)20-17-27-21-11-6-4-9-18(20)21/h4-7,9-12,17H,3,8,13-16H2,1-2H3,(H-,27,31,32,33)