(4-tert-butylphenyl)-(1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: (4-tert-butylphenyl)-(1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (4-tert-butylphenyl)-(1,4-diazepan-4-ium-1-yl)methanone CAS Name: (4-tert-butylphenyl)-(1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (4-tert-butylphenyl)-(1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (4-tert-butylphenyl)-(1,4-diazepan-4-ium-1-yl)methanone Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC[NH2+]CC2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C16H24N2O/c1-16(2,3)14-7-5-13(6-8-14)15(19)18-11-4-9-17-10-12-18/h5-8,17H,4,9-12H2,1-3H3/p+1