1-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-thiophen-3-yl-propan-1-one

Systemtic Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-thiophen-3-yl-propan-1-one Openeye Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-(3-thienyl)propan-1-one CAS Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-(3-thiophenyl)-1-propanone IUPAC Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-thiophen-3-ylpropan-1-one Traditional Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-(3-thienyl)propan-1-one Formula: C13H21N2OS+ MolecularWeight: 253.38364

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)CCC2=CSC=C2

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)CCC2=CSC=C2

InChI

InChI=1S/C13H20N2OS/c1-14-6-2-7-15(9-8-14)13(16)4-3-12-5-10-17-11-12/h5,10-11H,2-4,6-9H2,1H3/p+1