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

Systemtic Name: 3-[4-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]propylazanium Openeye Name: 3-[4-[2-(4-ethylanilino)-2-oxo-ethyl]piperazin-4-ium-1-yl]propylammonium CAS Name: 3-[4-[2-(4-ethylanilino)-2-oxoethyl]-1-piperazin-4-iumyl]propylammonium IUPAC Name: 3-[4-[2-(4-ethylanilino)-2-oxoethyl]piperazin-4-ium-1-yl]propylazanium Traditional Name: 3-[4-[2-(4-ethylanilino)-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:

CCC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CCC[NH3+]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CCC[NH3+]

InChI

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