(6R)-4-[(4-chlorophenyl)methyl]-6-methoxy-1-(phenylmethyl)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-4-[(4-chlorophenyl)methyl]-6-methoxy-1-(phenylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-benzyl-4-[(4-chlorophenyl)methyl]-6-methoxy-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-[(4-chlorophenyl)methyl]-6-methoxy-1-(phenylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-benzyl-4-[(4-chlorophenyl)methyl]-6-methoxy-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-benzyl-4-(4-chlorobenzyl)-6-methoxy-1,4-diazepan-4-ium-2-one Formula: C20H24ClN2O2+ MolecularWeight: 359.86976

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Descriptors Computed from Structure

Canonical SMILES:

COC1C[NH+](CC(=O)N(C1)CC2=CC=CC=C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CO[C@H]1C[NH+](CC(=O)N(C1)CC2=CC=CC=C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H23ClN2O2/c1-25-19-13-22(11-17-7-9-18(21)10-8-17)15-20(24)23(14-19)12-16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3/p+1/t19-/m0/s1