(2R)-2-[(2,4,5-trimethylphenyl)methyl]azepan-1-ium

Systemtic Name: (2R)-2-[(2,4,5-trimethylphenyl)methyl]azepan-1-ium Openeye Name: (2R)-2-[(2,4,5-trimethylphenyl)methyl]azepan-1-ium CAS Name: (2R)-2-[(2,4,5-trimethylphenyl)methyl]azepan-1-ium IUPAC Name: (2R)-2-[(2,4,5-trimethylphenyl)methyl]azepan-1-ium Traditional Name: (2R)-2-(2,4,5-trimethylbenzyl)azepan-1-ium Formula: C16H26N+ MolecularWeight: 232.38434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)CC2CCCCC[NH2+]2)C

Isomeric SMILES

CC1=CC(=C(C=C1C)C[C@H]2CCCCC[NH2+]2)C

InChI

InChI=1S/C16H25N/c1-12-9-14(3)15(10-13(12)2)11-16-7-5-4-6-8-17-16/h9-10,16-17H,4-8,11H2,1-3H3/p+1/t16-/m1/s1