4-(2-phenoxyethyl)-1-(thiophen-3-ylmethyl)-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-(2-phenoxyethyl)-1-(thiophen-3-ylmethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 4-(2-phenoxyethyl)-1-(3-thienylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 4-(2-phenoxyethyl)-1-(3-thiophenylmethyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 4-(2-phenoxyethyl)-1-(thiophen-3-ylmethyl)-1,4-diazepan-1-ium-5-one Traditional Name: 4-(2-phenoxyethyl)-1-(3-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=CSC=C3

Isomeric SMILES

C1C[NH+](CCN(C1=O)CCOC2=CC=CC=C2)CC3=CSC=C3

InChI

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