(6R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-6-methoxy-1-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-6-methoxy-1-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-6-methoxy-1-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-6-methoxy-1-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-6-methoxy-1-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-6-methoxy-1-p-anisyl-1,4-diazepan-4-ium-2-one Formula: C22H33N4O3+ MolecularWeight: 401.52242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1)C[NH+]2CC(CN(C(=O)C2)CC3=CC=C(C=C3)OC)OC

Isomeric SMILES

CCCCC1=NC=C(N1)C[NH+]2C[C@@H](CN(C(=O)C2)CC3=CC=C(C=C3)OC)OC

InChI

InChI=1S/C22H32N4O3/c1-4-5-6-21-23-11-18(24-21)13-25-14-20(29-3)15-26(22(27)16-25)12-17-7-9-19(28-2)10-8-17/h7-11,20H,4-6,12-16H2,1-3H3,(H,23,24)/p+1/t20-/m0/s1