(6R)-1-(oxan-4-ylmethyl)-6-phenylmethoxy-4-propyl-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-1-(oxan-4-ylmethyl)-6-phenylmethoxy-4-propyl-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-6-benzyloxy-4-propyl-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-(4-oxanylmethyl)-6-phenylmethoxy-4-propyl-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-(oxan-4-ylmethyl)-6-phenylmethoxy-4-propyl-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-6-benzoxy-4-propyl-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-4-ium-2-one Formula: C21H33N2O3+ MolecularWeight: 361.49832

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CC(CN(C(=O)C1)CC2CCOCC2)OCC3=CC=CC=C3

Isomeric SMILES

CCC[NH+]1C[C@@H](CN(C(=O)C1)CC2CCOCC2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H32N2O3/c1-2-10-22-14-20(26-17-19-6-4-3-5-7-19)15-23(21(24)16-22)13-18-8-11-25-12-9-18/h3-7,18,20H,2,8-17H2,1H3/p+1/t20-/m0/s1