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

Systemtic Name: [3-[4-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]azanium Openeye Name: [3-[4-[2-(2-methylanilino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-3-oxo-propyl]ammonium CAS Name: [3-[4-[2-(2-methylanilino)-2-oxoethyl]-1-piperazin-4-iumyl]-3-oxopropyl]ammonium IUPAC Name: [3-[4-[2-(2-methylanilino)-2-oxoethyl]piperazin-4-ium-1-yl]-3-oxopropyl]azanium Traditional Name: [3-keto-3-[4-[2-keto-2-(o-toluidino)ethyl]piperazin-4-ium-1-yl]propyl]ammonium Formula: C16H26N4O2+2 MolecularWeight: 306.40324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CC[NH3+]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CC[NH3+]

InChI

InChI=1S/C16H24N4O2/c1-13-4-2-3-5-14(13)18-15(21)12-19-8-10-20(11-9-19)16(22)6-7-17/h2-5H,6-12,17H2,1H3,(H,18,21)/p+2