(6R)-4-cyclobutyl-6-[(3,5-dimethoxyphenyl)methoxy]-1-propan-2-yl-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-4-cyclobutyl-6-[(3,5-dimethoxyphenyl)methoxy]-1-propan-2-yl-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-4-cyclobutyl-6-[(3,5-dimethoxyphenyl)methoxy]-1-isopropyl-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-cyclobutyl-6-[(3,5-dimethoxyphenyl)methoxy]-1-propan-2-yl-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-4-cyclobutyl-6-[(3,5-dimethoxyphenyl)methoxy]-1-propan-2-yl-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-4-cyclobutyl-6-(3,5-dimethoxybenzyl)oxy-1-isopropyl-1,4-diazepan-4-ium-2-one Formula: C21H33N2O4+ MolecularWeight: 377.49772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC(C[NH+](CC1=O)C2CCC2)OCC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC(C)N1C[C@H](C[NH+](CC1=O)C2CCC2)OCC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C21H32N2O4/c1-15(2)23-12-20(11-22(13-21(23)24)17-6-5-7-17)27-14-16-8-18(25-3)10-19(9-16)26-4/h8-10,15,17,20H,5-7,11-14H2,1-4H3/p+1/t20-/m0/s1