1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-[[(1S)-1-cyclohex-3-enyl]methyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-p-anisyl-1,4-diazepan-1-ium-5-one Formula: C20H29N2O2+ MolecularWeight: 329.45646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CC[NH+](CCC2=O)CC3CCC=CC3

Isomeric SMILES

COC1=CC=C(C=C1)CN2CC[NH+](CCC2=O)C[C@H]3CCC=CC3

InChI

InChI=1S/C20H28N2O2/c1-24-19-9-7-18(8-10-19)16-22-14-13-21(12-11-20(22)23)15-17-5-3-2-4-6-17/h2-3,7-10,17H,4-6,11-16H2,1H3/p+1/t17-/m1/s1