4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-N-[2-(2-methylpropanoylamino)ethyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-N-[2-(2-methylpropanoylamino)ethyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(2-ethylanilino)-2-oxo-ethyl]-N-[2-(2-methylpropanoylamino)ethyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(2-ethylanilino)-2-oxoethyl]-N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(2-ethylanilino)-2-oxoethyl]-N-[2-(2-methylpropanoylamino)ethyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(2-ethylanilino)-2-keto-ethyl]-N-[2-(isobutyrylamino)ethyl]piperazin-4-ium-1-carboxamide Formula: C21H34N5O3+ MolecularWeight: 404.52636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)NCCNC(=O)C(C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)NCCNC(=O)C(C)C

InChI

InChI=1S/C21H33N5O3/c1-4-17-7-5-6-8-18(17)24-19(27)15-25-11-13-26(14-12-25)21(29)23-10-9-22-20(28)16(2)3/h5-8,16H,4,9-15H2,1-3H3,(H,22,28)(H,23,29)(H,24,27)/p+1