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

Systemtic Name: 3-[4-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]propylazanium Openeye Name: 3-[4-[2-(3-methoxyanilino)-2-oxo-ethyl]piperazin-4-ium-1-yl]propylammonium CAS Name: 3-[4-[2-(3-methoxyanilino)-2-oxoethyl]-1-piperazin-4-iumyl]propylammonium IUPAC Name: 3-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-4-ium-1-yl]propylazanium Traditional Name: 3-[4-[2-keto-2-(m-anisidino)ethyl]piperazin-4-ium-1-yl]propylammonium Formula: C16H28N4O2+2 MolecularWeight: 308.41912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C[NH+]2CCN(CC2)CCC[NH3+]

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C[NH+]2CCN(CC2)CCC[NH3+]

InChI

InChI=1S/C16H26N4O2/c1-22-15-5-2-4-14(12-15)18-16(21)13-20-10-8-19(9-11-20)7-3-6-17/h2,4-5,12H,3,6-11,13,17H2,1H3,(H,18,21)/p+2