4-(2-phenoxyethyl)-1-(thiophen-2-ylmethyl)-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-(2-phenoxyethyl)-1-(thiophen-2-ylmethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 4-(2-phenoxyethyl)-1-(2-thienylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 4-(2-phenoxyethyl)-1-(thiophen-2-ylmethyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 4-(2-phenoxyethyl)-1-(thiophen-2-ylmethyl)-1,4-diazepan-1-ium-5-one Traditional Name: 4-(2-phenoxyethyl)-1-(2-thenyl)-1,4-diazepan-1-ium-5-one Formula: C18H23N2O2S+ MolecularWeight: 331.45242

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1=O)CCOC2=CC=CC=C2)CC3=CC=CS3

Isomeric SMILES

C1C[NH+](CCN(C1=O)CCOC2=CC=CC=C2)CC3=CC=CS3

InChI

InChI=1S/C18H22N2O2S/c21-18-8-9-19(15-17-7-4-14-23-17)10-11-20(18)12-13-22-16-5-2-1-3-6-16/h1-7,14H,8-13,15H2/p+1