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

Systemtic Name: 4-[(3-methoxyphenyl)methyl]-1-[(E)-2-methylbut-2-enyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-[(3-methoxyphenyl)methyl]-1-[(E)-2-methylbut-2-enyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-[(3-methoxyphenyl)methyl]-1-[(E)-2-methylbut-2-enyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-[(3-methoxyphenyl)methyl]-1-[(E)-2-methylbut-2-enyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-m-anisyl-1-[(E)-2-methylbut-2-enyl]-1,4-diazepan-1-ium-5-one Formula: C18H27N2O2+ MolecularWeight: 303.41918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C[NH+]1CCC(=O)N(CC1)CC2=CC(=CC=C2)OC

Isomeric SMILES

C/C=C(\C)/C[NH+]1CCC(=O)N(CC1)CC2=CC(=CC=C2)OC

InChI

InChI=1S/C18H26N2O2/c1-4-15(2)13-19-9-8-18(21)20(11-10-19)14-16-6-5-7-17(12-16)22-3/h4-7,12H,8-11,13-14H2,1-3H3/p+1/b15-4+