1-butyl-3-ethoxycarbonyl-2-methyl-4-[(4-methylpiperazin-1-ium-1-yl)methyl]indol-5-olate

Systemtic Name: 1-butyl-3-ethoxycarbonyl-2-methyl-4-[(4-methylpiperazin-1-ium-1-yl)methyl]indol-5-olate Openeye Name: 1-butyl-3-ethoxycarbonyl-2-methyl-4-[(4-methylpiperazin-1-ium-1-yl)methyl]indol-5-olate CAS Name: 1-butyl-3-ethoxycarbonyl-2-methyl-4-[(4-methyl-1-piperazin-1-iumyl)methyl]-5-indololate IUPAC Name: 1-butyl-3-ethoxycarbonyl-2-methyl-4-[(4-methylpiperazin-1-ium-1-yl)methyl]indol-5-olate Traditional Name: 1-butyl-3-carbethoxy-2-methyl-4-[(4-methylpiperazin-1-ium-1-yl)methyl]indol-5-olate Formula: C22H33N3O3 MolecularWeight: 387.51572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=C1C=CC(=C2C[NH+]3CCN(CC3)C)[O-])C(=O)OCC)C

Isomeric SMILES

CCCCN1C(=C(C2=C1C=CC(=C2C[NH+]3CCN(CC3)C)[O-])C(=O)OCC)C

InChI

InChI=1S/C22H33N3O3/c1-5-7-10-25-16(3)20(22(27)28-6-2)21-17(19(26)9-8-18(21)25)15-24-13-11-23(4)12-14-24/h8-9,26H,5-7,10-15H2,1-4H3