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

Systemtic Name: 3-[4-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]propylazanium Openeye Name: 3-[4-[2-(3-methylanilino)-2-oxo-ethyl]piperazin-4-ium-1-yl]propylammonium CAS Name: 3-[4-[2-(3-methylanilino)-2-oxoethyl]-1-piperazin-4-iumyl]propylammonium IUPAC Name: 3-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-4-ium-1-yl]propylazanium Traditional Name: 3-[4-[2-keto-2-(m-toluidino)ethyl]piperazin-4-ium-1-yl]propylammonium Formula: C16H28N4O+2 MolecularWeight: 292.41972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4O/c1-14-4-2-5-15(12-14)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