[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-[[4-(piperidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]azanium

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-[[4-(piperidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]azanium Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl]-[[4-(piperidin-1-ium-1-ylmethyl)-2-thienyl]methyl]ammonium CAS Name: [(2S)-1-amino-1-oxopropan-2-yl]-[[4-(1-piperidin-1-iumylmethyl)-2-thiophenyl]methyl]ammonium IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl]-[[4-(piperidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]azanium Traditional Name: [(1S)-2-amino-2-keto-1-methyl-ethyl]-[[4-(piperidin-1-ium-1-ylmethyl)-2-thienyl]methyl]ammonium Formula: C14H25N3OS+2 MolecularWeight: 283.4328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)[NH2+]CC1=CC(=CS1)C[NH+]2CCCCC2

Isomeric SMILES

C[C@@H](C(=O)N)[NH2+]CC1=CC(=CS1)C[NH+]2CCCCC2

InChI

InChI=1S/C14H23N3OS/c1-11(14(15)18)16-8-13-7-12(10-19-13)9-17-5-3-2-4-6-17/h7,10-11,16H,2-6,8-9H2,1H3,(H2,15,18)/p+2/t11-/m0/s1