1-[(2,3,4,5,6-pentamethylphenyl)methyl]azepan-1-ium

Systemtic Name: 1-[(2,3,4,5,6-pentamethylphenyl)methyl]azepan-1-ium Openeye Name: 1-[(2,3,4,5,6-pentamethylphenyl)methyl]azepan-1-ium CAS Name: 1-[(2,3,4,5,6-pentamethylphenyl)methyl]azepan-1-ium IUPAC Name: 1-[(2,3,4,5,6-pentamethylphenyl)methyl]azepan-1-ium Traditional Name: 1-(2,3,4,5,6-pentamethylbenzyl)azepan-1-ium Formula: C18H30N+ MolecularWeight: 260.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)C[NH+]2CCCCCC2)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)C[NH+]2CCCCCC2)C)C

InChI

InChI=1S/C18H29N/c1-13-14(2)16(4)18(17(5)15(13)3)12-19-10-8-6-7-9-11-19/h6-12H2,1-5H3/p+1