1-(3-phenylpropyl)-4-(pyridin-2-ylmethyl)-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-(3-phenylpropyl)-4-(pyridin-2-ylmethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 1-(3-phenylpropyl)-4-(2-pyridylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 1-(3-phenylpropyl)-4-(2-pyridinylmethyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 1-(3-phenylpropyl)-4-(pyridin-2-ylmethyl)-1,4-diazepan-1-ium-5-one Traditional Name: 1-(3-phenylpropyl)-4-(2-pyridylmethyl)-1,4-diazepan-1-ium-5-one Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1=O)CC2=CC=CC=N2)CCCC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCN(C1=O)CC2=CC=CC=N2)CCCC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O/c24-20-11-14-22(13-6-9-18-7-2-1-3-8-18)15-16-23(20)17-19-10-4-5-12-21-19/h1-5,7-8,10,12H,6,9,11,13-17H2/p+1