1-(cyclohexylmethyl)-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-(cyclohexylmethyl)-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-(cyclohexylmethyl)-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-(cyclohexylmethyl)-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-(cyclohexylmethyl)-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-(cyclohexylmethyl)-4-m-anisyl-1,4-diazepan-1-ium-5-one Formula: C20H31N2O2+ MolecularWeight: 331.47234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CC[NH+](CCC2=O)CC3CCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)CN2CC[NH+](CCC2=O)CC3CCCCC3

InChI

InChI=1S/C20H30N2O2/c1-24-19-9-5-8-18(14-19)16-22-13-12-21(11-10-20(22)23)15-17-6-3-2-4-7-17/h5,8-9,14,17H,2-4,6-7,10-13,15-16H2,1H3/p+1