(4-ethylpiperazin-4-ium-1-yl)-(4-methyl-5-phenyl-thiophen-2-yl)methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-(4-methyl-5-phenyl-thiophen-2-yl)methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-(4-methyl-5-phenyl-2-thienyl)methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-(4-methyl-5-phenyl-2-thiophenyl)methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-(4-methyl-5-phenylthiophen-2-yl)methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-(4-methyl-5-phenyl-2-thienyl)methanone Formula: C18H23N2OS+ MolecularWeight: 315.45302

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC(=C(S2)C3=CC=CC=C3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC(=C(S2)C3=CC=CC=C3)C

InChI

InChI=1S/C18H22N2OS/c1-3-19-9-11-20(12-10-19)18(21)16-13-14(2)17(22-16)15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3/p+1