(6R)-4-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbonyl-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one

Systemtic Name: (6R)-4-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbonyl-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one Openeye Name: (6R)-6-benzyloxy-1-isobutyl-4-[4-(4-methylpiperazin-4-ium-1-yl)benzoyl]-1,4-diazepan-2-one CAS Name: (6R)-4-[[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-oxomethyl]-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one IUPAC Name: (6R)-4-[4-(4-methylpiperazin-4-ium-1-yl)benzoyl]-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one Traditional Name: (6R)-6-benzoxy-1-isobutyl-4-[4-(4-methylpiperazin-4-ium-1-yl)benzoyl]-1,4-diazepan-2-one Formula: C28H39N4O3+ MolecularWeight: 479.63426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(CN(CC1=O)C(=O)C2=CC=C(C=C2)N3CC[NH+](CC3)C)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)CN1C[C@@H](CN(CC1=O)C(=O)C2=CC=C(C=C2)N3CC[NH+](CC3)C)OCC4=CC=CC=C4

InChI

InChI=1S/C28H38N4O3/c1-22(2)17-31-18-26(35-21-23-7-5-4-6-8-23)19-32(20-27(31)33)28(34)24-9-11-25(12-10-24)30-15-13-29(3)14-16-30/h4-12,22,26H,13-21H2,1-3H3/p+1/t26-/m0/s1