1-[(S)-pyridin-3-yl-(2,4,6-trimethylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(S)-pyridin-3-yl-(2,4,6-trimethylphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(S)-3-pyridyl-(2,4,6-trimethylphenyl)methyl]piperazin-4-ium CAS Name: 1-[(S)-3-pyridinyl-(2,4,6-trimethylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(S)-pyridin-3-yl-(2,4,6-trimethylphenyl)methyl]piperazin-4-ium Traditional Name: 1-[(S)-mesityl(3-pyridyl)methyl]piperazin-4-ium Formula: C19H26N3+ MolecularWeight: 296.42984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(C2=CN=CC=C2)N3CC[NH2+]CC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)[C@@H](C2=CN=CC=C2)N3CC[NH2+]CC3)C

InChI

InChI=1S/C19H25N3/c1-14-11-15(2)18(16(3)12-14)19(17-5-4-6-21-13-17)22-9-7-20-8-10-22/h4-6,11-13,19-20H,7-10H2,1-3H3/p+1/t19-/m1/s1