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

Systemtic Name: 4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-N-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(2-ethylanilino)-2-oxo-ethyl]-N-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(2-ethylanilino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(2-ethylanilino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(2-ethylanilino)-2-keto-ethyl]-N-m-anisyl-piperazin-4-ium-1-carboxamide Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)NCC3=CC(=CC=C3)OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)NCC3=CC(=CC=C3)OC

InChI

InChI=1S/C23H30N4O3/c1-3-19-8-4-5-10-21(19)25-22(28)17-26-11-13-27(14-12-26)23(29)24-16-18-7-6-9-20(15-18)30-2/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,24,29)(H,25,28)/p+1