(5-ethylthiophen-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: (5-ethylthiophen-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (5-ethyl-2-thienyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: (5-ethyl-2-thiophenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (5-ethylthiophen-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (5-ethyl-2-thienyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C13H21N2OS+ MolecularWeight: 253.38364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(=O)N2CCC[NH+](CC2)C

Isomeric SMILES

CCC1=CC=C(S1)C(=O)N2CCC[NH+](CC2)C

InChI

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