N-butyl-2-[4-[2-[(2-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-[2-[(2-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[2-(2-acetylanilino)-2-oxo-ethyl]piperazin-1-ium-1-yl]-N-butyl-acetamide CAS Name: 2-[4-[2-(2-acetylanilino)-2-oxoethyl]-1-piperazin-1-iumyl]-N-butylacetamide IUPAC Name: 2-[4-[2-(2-acetylanilino)-2-oxoethyl]piperazin-1-ium-1-yl]-N-butylacetamide Traditional Name: 2-[4-[2-(2-acetylanilino)-2-keto-ethyl]piperazin-1-ium-1-yl]-N-butyl-acetamide Formula: C20H31N4O3+ MolecularWeight: 375.48514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)CC(=O)NC2=CC=CC=C2C(=O)C

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)CC(=O)NC2=CC=CC=C2C(=O)C

InChI

InChI=1S/C20H30N4O3/c1-3-4-9-21-19(26)14-23-10-12-24(13-11-23)15-20(27)22-18-8-6-5-7-17(18)16(2)25/h5-8H,3-4,9-15H2,1-2H3,(H,21,26)(H,22,27)/p+1