2-[4-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]ethylazanium

Systemtic Name: 2-[4-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]ethylazanium Openeye Name: 2-[4-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]piperazin-4-ium-1-yl]ethylammonium CAS Name: 2-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1-piperazin-4-iumyl]ethylammonium IUPAC Name: 2-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperazin-4-ium-1-yl]ethylazanium Traditional Name: 2-[4-[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]piperazin-4-ium-1-yl]ethylammonium Formula: C17H30N4O+2 MolecularWeight: 306.4463

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCN(CC2)CC[NH3+])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCN(CC2)CC[NH3+])C

InChI

InChI=1S/C17H28N4O/c1-3-15-6-4-5-14(2)17(15)19-16(22)13-21-11-9-20(8-7-18)10-12-21/h4-6H,3,7-13,18H2,1-2H3,(H,19,22)/p+2