4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-N-[(2-imidazol-1-ylpyridin-3-yl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-N-[(2-imidazol-1-ylpyridin-3-yl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(2-ethylanilino)-2-oxo-ethyl]-N-[(2-imidazol-1-yl-3-pyridyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(2-ethylanilino)-2-oxoethyl]-N-[[2-(1-imidazolyl)-3-pyridinyl]methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(2-ethylanilino)-2-oxoethyl]-N-[(2-imidazol-1-ylpyridin-3-yl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(2-ethylanilino)-2-keto-ethyl]-N-[(2-imidazol-1-yl-3-pyridyl)methyl]piperazin-4-ium-1-carboxamide Formula: C24H30N7O2+ MolecularWeight: 448.5407

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)NCC3=C(N=CC=C3)N4C=CN=C4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)NCC3=C(N=CC=C3)N4C=CN=C4

InChI

InChI=1S/C24H29N7O2/c1-2-19-6-3-4-8-21(19)28-22(32)17-29-12-14-30(15-13-29)24(33)27-16-20-7-5-9-26-23(20)31-11-10-25-18-31/h3-11,18H,2,12-17H2,1H3,(H,27,33)(H,28,32)/p+1