[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone

Systemtic Name: [(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone Openeye Name: [(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(3-methyl-2-thienyl)methanone CAS Name: [(3S)-1-[(1-ethyl-2-imidazolyl)methyl]-3-piperidin-1-iumyl]-(3-methyl-2-thiophenyl)methanone IUPAC Name: [(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone Traditional Name: [(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(3-methyl-2-thienyl)methanone Formula: C17H24N3OS+ MolecularWeight: 318.45696

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN=C1C[NH+]2CCCC(C2)C(=O)C3=C(C=CS3)C

Isomeric SMILES

CCN1C=CN=C1C[NH+]2CCC[C@@H](C2)C(=O)C3=C(C=CS3)C

InChI

InChI=1S/C17H23N3OS/c1-3-20-9-7-18-15(20)12-19-8-4-5-14(11-19)16(21)17-13(2)6-10-22-17/h6-7,9-10,14H,3-5,8,11-12H2,1-2H3/p+1/t14-/m0/s1