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

Systemtic Name: 3-[4-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]propylazanium Openeye Name: 3-[4-[2-(2,3-dimethylanilino)-2-oxo-ethyl]piperazin-4-ium-1-yl]propylammonium CAS Name: 3-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]-1-piperazin-4-iumyl]propylammonium IUPAC Name: 3-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-4-ium-1-yl]propylazanium Traditional Name: 3-[4-[2-(2,3-dimethylanilino)-2-keto-ethyl]piperazin-4-ium-1-yl]propylammonium Formula: C17H30N4O+2 MolecularWeight: 306.4463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O/c1-14-5-3-6-16(15(14)2)19-17(22)13-21-11-9-20(10-12-21)8-4-7-18/h3,5-6H,4,7-13,18H2,1-2H3,(H,19,22)/p+2