4-(cyclohexylmethyl)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-(cyclohexylmethyl)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-(cyclohexylmethyl)-1-[(E)-3-(4-methoxyphenyl)allyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-(cyclohexylmethyl)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-(cyclohexylmethyl)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-(cyclohexylmethyl)-1-[(E)-3-(4-methoxyphenyl)allyl]-1,4-diazepan-1-ium-5-one Formula: C22H33N2O2+ MolecularWeight: 357.50962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC[NH+]2CCC(=O)N(CC2)CC3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C[NH+]2CCC(=O)N(CC2)CC3CCCCC3

InChI

InChI=1S/C22H32N2O2/c1-26-21-11-9-19(10-12-21)8-5-14-23-15-13-22(25)24(17-16-23)18-20-6-3-2-4-7-20/h5,8-12,20H,2-4,6-7,13-18H2,1H3/p+1/b8-5+