[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone

Systemtic Name: [4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Openeye Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-(2-phenylsulfanyl-3-pyridyl)methanone CAS Name: [4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]-[2-(phenylthio)-3-pyridinyl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-(2-phenylsulfanylpyridin-3-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-[2-(phenylthio)-3-pyridyl]methanone Formula: C24H26N3OS+ MolecularWeight: 404.54774

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H25N3OS/c28-24(22-13-7-14-25-23(22)29-21-11-5-2-6-12-21)27-16-8-15-26(17-18-27)19-20-9-3-1-4-10-20/h1-7,9-14H,8,15-19H2/p+1