5-methyl-2-(4-methylpiperazin-4-ium-1-yl)aniline

Systemtic Name: 5-methyl-2-(4-methylpiperazin-4-ium-1-yl)aniline Openeye Name: 5-methyl-2-(4-methylpiperazin-4-ium-1-yl)aniline CAS Name: 5-methyl-2-(4-methyl-1-piperazin-4-iumyl)aniline IUPAC Name: 5-methyl-2-(4-methylpiperazin-4-ium-1-yl)aniline Traditional Name: [5-methyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]amine Formula: C12H20N3+ MolecularWeight: 206.3073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CC[NH+](CC2)C)N

Isomeric SMILES

CC1=CC(=C(C=C1)N2CC[NH+](CC2)C)N

InChI

InChI=1S/C12H19N3/c1-10-3-4-12(11(13)9-10)15-7-5-14(2)6-8-15/h3-4,9H,5-8,13H2,1-2H3/p+1