4-(1H-indol-3-yl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]butan-1-one

Systemtic Name: 4-(1H-indol-3-yl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]butan-1-one Openeye Name: 4-(1H-indol-3-yl)-1-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]butan-1-one CAS Name: 4-(1H-indol-3-yl)-1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 4-(1H-indol-3-yl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]butan-1-one Traditional Name: 4-(1H-indol-3-yl)-1-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]butan-1-one Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CCCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H30N4O2/c27-21(9-5-6-18-16-23-20-8-2-1-7-19(18)20)26-14-12-24(13-15-26)17-22(28)25-10-3-4-11-25/h1-2,7-8,16,23H,3-6,9-15,17H2/p+1