1-[(4-phenylphenyl)methyl]-4-(pyridin-4-ylmethyl)-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(4-phenylphenyl)methyl]-4-(pyridin-4-ylmethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(4-phenylphenyl)methyl]-4-(4-pyridylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 1-[(4-phenylphenyl)methyl]-4-(pyridin-4-ylmethyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(4-phenylphenyl)methyl]-4-(pyridin-4-ylmethyl)-1,4-diazepan-1-ium-5-one Traditional Name: 1-(4-phenylbenzyl)-4-(4-pyridylmethyl)-1,4-diazepan-1-ium-5-one Formula: C24H26N3O+ MolecularWeight: 372.48274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1=O)CC2=CC=NC=C2)CC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCN(C1=O)CC2=CC=NC=C2)CC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O/c28-24-12-15-26(16-17-27(24)19-21-10-13-25-14-11-21)18-20-6-8-23(9-7-20)22-4-2-1-3-5-22/h1-11,13-14H,12,15-19H2/p+1