4-[(2-chlorophenyl)methyl]-1-(thiophen-2-ylmethyl)-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-[(2-chlorophenyl)methyl]-1-(thiophen-2-ylmethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 4-[(2-chlorophenyl)methyl]-1-(2-thienylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 4-[(2-chlorophenyl)methyl]-1-(thiophen-2-ylmethyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 4-[(2-chlorophenyl)methyl]-1-(thiophen-2-ylmethyl)-1,4-diazepan-1-ium-5-one Traditional Name: 4-(2-chlorobenzyl)-1-(2-thenyl)-1,4-diazepan-1-ium-5-one Formula: C17H20ClN2OS+ MolecularWeight: 335.8715

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1=O)CC2=CC=CC=C2Cl)CC3=CC=CS3

Isomeric SMILES

C1C[NH+](CCN(C1=O)CC2=CC=CC=C2Cl)CC3=CC=CS3

InChI

InChI=1S/C17H19ClN2OS/c18-16-6-2-1-4-14(16)12-20-10-9-19(8-7-17(20)21)13-15-5-3-11-22-15/h1-6,11H,7-10,12-13H2/p+1