1-(4-phenylpiperazin-1-ium-1-ylidene)-N,N'-bis(2,4,6-trimethylphenyl)methanediamine

Systemtic Name: 1-(4-phenylpiperazin-1-ium-1-ylidene)-N,N'-bis(2,4,6-trimethylphenyl)methanediamine Openeye Name: 1-(4-phenylpiperazin-1-ium-1-ylidene)-N,N'-bis(2,4,6-trimethylphenyl)methanediamine CAS Name: 1-(4-phenyl-1-piperazin-1-iumylidene)-N,N'-bis(2,4,6-trimethylphenyl)methanediamine IUPAC Name: 1-(4-phenylpiperazin-1-ium-1-ylidene)-N,N'-bis(2,4,6-trimethylphenyl)methanediamine Traditional Name: [mesidino-(4-phenylpiperazin-1-ium-1-ylidene)methyl]-mesityl-amine Formula: C29H37N4+ MolecularWeight: 441.63088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=[N+]2CCN(CC2)C3=CC=CC=C3)NC4=C(C=C(C=C4C)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=[N+]2CCN(CC2)C3=CC=CC=C3)NC4=C(C=C(C=C4C)C)C)C

InChI

InChI=1S/C29H36N4/c1-20-16-22(3)27(23(4)17-20)30-29(31-28-24(5)18-21(2)19-25(28)6)33-14-12-32(13-15-33)26-10-8-7-9-11-26/h7-11,16-19H,12-15H2,1-6H3,(H,30,31)/p+1