2-[4-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]ethylazanium

Systemtic Name: 2-[4-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]ethylazanium Openeye Name: 2-[4-[2-(2,3-dimethylanilino)-2-oxo-ethyl]piperazin-4-ium-1-yl]ethylammonium CAS Name: 2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]-1-piperazin-4-iumyl]ethylammonium IUPAC Name: 2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-4-ium-1-yl]ethylazanium Traditional Name: 2-[4-[2-(2,3-dimethylanilino)-2-keto-ethyl]piperazin-4-ium-1-yl]ethylammonium Formula: C16H28N4O+2 MolecularWeight: 292.41972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)CC[NH3+])C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)CC[NH3+])C

InChI

InChI=1S/C16H26N4O/c1-13-4-3-5-15(14(13)2)18-16(21)12-20-10-8-19(7-6-17)9-11-20/h3-5H,6-12,17H2,1-2H3,(H,18,21)/p+2