[(2S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-2-thiophen-3-yl-ethyl]azanium

Systemtic Name: [(2S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-2-thiophen-3-yl-ethyl]azanium Openeye Name: [(2S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-2-(3-thienyl)ethyl]ammonium CAS Name: [(2S)-2-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-2-(3-thiophenyl)ethyl]ammonium IUPAC Name: [(2S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-2-thiophen-3-ylethyl]azanium Traditional Name: [(2S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-2-(3-thienyl)ethyl]ammonium Formula: C13H25N3S+2 MolecularWeight: 255.4227

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(C[NH3+])C2=CSC=C2

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)[C@H](C[NH3+])C2=CSC=C2

InChI

InChI=1S/C13H23N3S/c1-15-6-3-12(4-7-15)16(2)13(9-14)11-5-8-17-10-11/h5,8,10,12-13H,3-4,6-7,9,14H2,1-2H3/p+2/t13-/m1/s1