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

Systemtic Name: 4-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-(2-pyridin-3-ylethyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(2,3-dimethylanilino)-2-oxo-ethyl]-N-[2-(3-pyridyl)ethyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-[2-(3-pyridinyl)ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-pyridin-3-ylethyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(2,3-dimethylanilino)-2-keto-ethyl]-N-[2-(3-pyridyl)ethyl]piperazin-4-ium-1-carboxamide Formula: C22H30N5O2+ MolecularWeight: 396.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)NCCC3=CN=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)NCCC3=CN=CC=C3)C

InChI

InChI=1S/C22H29N5O2/c1-17-5-3-7-20(18(17)2)25-21(28)16-26-11-13-27(14-12-26)22(29)24-10-8-19-6-4-9-23-15-19/h3-7,9,15H,8,10-14,16H2,1-2H3,(H,24,29)(H,25,28)/p+1