N-butyl-2-[4-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-[2-keto-2-(2-methyl-1H-indol-3-yl)ethyl]piperazin-1-ium-1-yl]acetamide Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)CC(=O)C2=C(NC3=CC=CC=C32)C

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)CC(=O)C2=C(NC3=CC=CC=C32)C

InChI

InChI=1S/C21H30N4O2/c1-3-4-9-22-20(27)15-25-12-10-24(11-13-25)14-19(26)21-16(2)23-18-8-6-5-7-17(18)21/h5-8,23H,3-4,9-15H2,1-2H3,(H,22,27)/p+1