(6R)-6-oxidanyl-4-[(2-prop-2-enoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-6-oxidanyl-4-[(2-prop-2-enoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-4-[(2-allyloxyphenyl)methyl]-6-hydroxy-1-(3-pyridylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-6-hydroxy-4-[(2-prop-2-enoxyphenyl)methyl]-1-(3-pyridinylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-6-hydroxy-4-[(2-prop-2-enoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-4-(2-allyloxybenzyl)-6-hydroxy-1-(3-pyridylmethyl)-1,4-diazepan-4-ium-2-one Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1C[NH+]2CC(CN(C(=O)C2)CC3=CN=CC=C3)O

Isomeric SMILES

C=CCOC1=CC=CC=C1C[NH+]2C[C@@H](CN(C(=O)C2)CC3=CN=CC=C3)O

InChI

InChI=1S/C21H25N3O3/c1-2-10-27-20-8-4-3-7-18(20)13-23-14-19(25)15-24(21(26)16-23)12-17-6-5-9-22-11-17/h2-9,11,19,25H,1,10,12-16H2/p+1/t19-/m0/s1