N-cyclopentyl-2-[4-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopentyl-2-[4-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopentyl-2-[4-[2-(2,3-dimethylanilino)-2-oxo-ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopentyl-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopentyl-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopentyl-2-[4-[2-(2,3-dimethylanilino)-2-keto-ethyl]piperazin-1-ium-1-yl]acetamide Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CN2CC[NH+](CC2)CC(=O)NC3CCCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CN2CC[NH+](CC2)CC(=O)NC3CCCC3)C

InChI

InChI=1S/C21H32N4O2/c1-16-6-5-9-19(17(16)2)23-21(27)15-25-12-10-24(11-13-25)14-20(26)22-18-7-3-4-8-18/h5-6,9,18H,3-4,7-8,10-15H2,1-2H3,(H,22,26)(H,23,27)/p+1