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

Systemtic Name: methyl-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: methyl-[2-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]ammonium CAS Name: methyl-[2-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]ammonium IUPAC Name: methyl-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]azanium Traditional Name: [2-keto-2-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]ethyl]-methyl-ammonium Formula: C15H25N3O+2 MolecularWeight: 263.3785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C[NH2+]C

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C[NH2+]C

InChI

InChI=1S/C15H23N3O/c1-13-4-3-5-14(10-13)12-17-6-8-18(9-7-17)15(19)11-16-2/h3-5,10,16H,6-9,11-12H2,1-2H3/p+2