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

Systemtic Name: 4-(cyclohexylmethyl)-1-[(4-hydroxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-(cyclohexylmethyl)-1-[(4-hydroxyphenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-(cyclohexylmethyl)-1-[(4-hydroxyphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-(cyclohexylmethyl)-1-[(4-hydroxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-(cyclohexylmethyl)-1-(4-hydroxybenzyl)-1,4-diazepan-1-ium-5-one Formula: C19H29N2O2+ MolecularWeight: 317.44576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2CC[NH+](CCC2=O)CC3=CC=C(C=C3)O

Isomeric SMILES

C1CCC(CC1)CN2CC[NH+](CCC2=O)CC3=CC=C(C=C3)O

InChI

InChI=1S/C19H28N2O2/c22-18-8-6-17(7-9-18)14-20-11-10-19(23)21(13-12-20)15-16-4-2-1-3-5-16/h6-9,16,22H,1-5,10-15H2/p+1