[(2R)-2-methyl-4-(phenylmethyl)piperazin-1-ium-1-ylidene]methanediamine

Systemtic Name: [(2R)-2-methyl-4-(phenylmethyl)piperazin-1-ium-1-ylidene]methanediamine Openeye Name: [(2R)-4-benzyl-2-methyl-piperazin-1-ium-1-ylidene]methanediamine CAS Name: [(2R)-2-methyl-4-(phenylmethyl)-1-piperazin-1-iumylidene]methanediamine IUPAC Name: [(2R)-4-benzyl-2-methylpiperazin-1-ium-1-ylidene]methanediamine Traditional Name: [amino-[(2R)-4-benzyl-2-methyl-piperazin-1-ium-1-ylidene]methyl]amine Formula: C13H21N4+ MolecularWeight: 233.33264

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[N+]1=C(N)N)CC2=CC=CC=C2

Isomeric SMILES

C[C@@H]1CN(CC[N+]1=C(N)N)CC2=CC=CC=C2

InChI

InChI=1S/C13H20N4/c1-11-9-16(7-8-17(11)13(14)15)10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H3,14,15)/p+1/t11-/m1/s1