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

Systemtic Name: 4-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(2,3-dimethylanilino)-2-oxo-ethyl]-N-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(2,3-dimethylanilino)-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:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)NCC3=CC(=CC=C3)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)NCC3=CC(=CC=C3)OC)C

InChI

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