1-(2,2-dimethylpropyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-(2,2-dimethylpropyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-(2,2-dimethylpropyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-(2,2-dimethylpropyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-(2,2-dimethylpropyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-neopentyl-4-p-anisyl-1,4-diazepan-1-ium-5-one Formula: C18H29N2O2+ MolecularWeight: 305.43506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCC(=O)N(CC1)CC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)C[NH+]1CCC(=O)N(CC1)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C18H28N2O2/c1-18(2,3)14-19-10-9-17(21)20(12-11-19)13-15-5-7-16(22-4)8-6-15/h5-8H,9-14H2,1-4H3/p+1