1-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-ium

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-ium Openeye Name: 1-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-ium CAS Name: 1-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-ium IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-ium Traditional Name: 1-(4-tert-butylbenzyl)-1,4-diazepan-1-ium Formula: C16H27N2+ MolecularWeight: 247.39898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[NH+]2CCCNCC2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH+]2CCCNCC2

InChI

InChI=1S/C16H26N2/c1-16(2,3)15-7-5-14(6-8-15)13-18-11-4-9-17-10-12-18/h5-8,17H,4,9-13H2,1-3H3/p+1