[(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone

Systemtic Name: [(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone Openeye Name: [(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]-(3-methyl-2-thienyl)methanone CAS Name: [(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-piperidin-1-iumyl]-(3-methyl-2-thiophenyl)methanone IUPAC Name: [(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone Traditional Name: [(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]-(3-methyl-2-thienyl)methanone Formula: C19H28N3OS+ MolecularWeight: 346.51012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1)C[NH+]2CCCC(C2)C(=O)C3=C(C=CS3)C

Isomeric SMILES

CCCCC1=NC=C(N1)C[NH+]2CCC[C@@H](C2)C(=O)C3=C(C=CS3)C

InChI

InChI=1S/C19H27N3OS/c1-3-4-7-17-20-11-16(21-17)13-22-9-5-6-15(12-22)18(23)19-14(2)8-10-24-19/h8,10-11,15H,3-7,9,12-13H2,1-2H3,(H,20,21)/p+1/t15-/m0/s1