1-(1,4-diazepan-4-ium-1-yl)-4-thiophen-2-yl-butan-1-one

Systemtic Name: 1-(1,4-diazepan-4-ium-1-yl)-4-thiophen-2-yl-butan-1-one Openeye Name: 1-(1,4-diazepan-4-ium-1-yl)-4-(2-thienyl)butan-1-one CAS Name: 1-(1,4-diazepan-4-ium-1-yl)-4-thiophen-2-yl-1-butanone IUPAC Name: 1-(1,4-diazepan-4-ium-1-yl)-4-thiophen-2-ylbutan-1-one Traditional Name: 1-(1,4-diazepan-4-ium-1-yl)-4-(2-thienyl)butan-1-one Formula: C13H21N2OS+ MolecularWeight: 253.38364

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)CCCC2=CC=CS2

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)CCCC2=CC=CS2

InChI

InChI=1S/C13H20N2OS/c16-13(15-9-3-7-14-8-10-15)6-1-4-12-5-2-11-17-12/h2,5,11,14H,1,3-4,6-10H2/p+1