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

Systemtic Name: 1-cyclohexyl-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-cyclohexyl-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-cyclohexyl-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-cyclohexyl-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-cyclohexyl-4-p-anisyl-1,4-diazepan-1-ium-5-one Formula: C19H29N2O2+ MolecularWeight: 317.44576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CC[NH+](CCC2=O)C3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)CN2CC[NH+](CCC2=O)C3CCCCC3

InChI

InChI=1S/C19H28N2O2/c1-23-18-9-7-16(8-10-18)15-21-14-13-20(12-11-19(21)22)17-5-3-2-4-6-17/h7-10,17H,2-6,11-15H2,1H3/p+1