(6S)-6-[(3-fluorophenyl)methoxy]-4-(1-methylpiperidin-1-ium-4-yl)carbonyl-1-phenethyl-1,4-diazepan-2-one

Systemtic Name: (6S)-6-[(3-fluorophenyl)methoxy]-4-(1-methylpiperidin-1-ium-4-yl)carbonyl-1-phenethyl-1,4-diazepan-2-one Openeye Name: (6S)-6-[(3-fluorophenyl)methoxy]-4-(1-methylpiperidin-1-ium-4-carbonyl)-1-phenethyl-1,4-diazepan-2-one CAS Name: (6S)-6-[(3-fluorophenyl)methoxy]-4-[(1-methyl-4-piperidin-1-iumyl)-oxomethyl]-1-phenethyl-1,4-diazepan-2-one IUPAC Name: (6S)-6-[(3-fluorophenyl)methoxy]-4-(1-methylpiperidin-1-ium-4-carbonyl)-1-phenethyl-1,4-diazepan-2-one Traditional Name: (6S)-6-(3-fluorobenzyl)oxy-4-(1-methylpiperidin-1-ium-4-carbonyl)-1-phenethyl-1,4-diazepan-2-one Formula: C27H35FN3O3+ MolecularWeight: 468.583503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C(=O)N2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC(=CC=C4)F

Isomeric SMILES

C[NH+]1CCC(CC1)C(=O)N2C[C@@H](CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC(=CC=C4)F

InChI

InChI=1S/C27H34FN3O3/c1-29-13-11-23(12-14-29)27(33)31-18-25(34-20-22-8-5-9-24(28)16-22)17-30(26(32)19-31)15-10-21-6-3-2-4-7-21/h2-9,16,23,25H,10-15,17-20H2,1H3/p+1/t25-/m1/s1