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

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-[[4-(pyrrolidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]azanium Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl]-[[4-(pyrrolidin-1-ium-1-ylmethyl)-2-thienyl]methyl]ammonium CAS Name: [(2S)-1-amino-1-oxopropan-2-yl]-[[4-(1-pyrrolidin-1-iumylmethyl)-2-thiophenyl]methyl]ammonium IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl]-[[4-(pyrrolidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]azanium Traditional Name: [(1S)-2-amino-2-keto-1-methyl-ethyl]-[[4-(pyrrolidin-1-ium-1-ylmethyl)-2-thienyl]methyl]ammonium Formula: C13H23N3OS+2 MolecularWeight: 269.40622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)[NH2+]CC1=CC(=CS1)C[NH+]2CCCC2

Isomeric SMILES

C[C@@H](C(=O)N)[NH2+]CC1=CC(=CS1)C[NH+]2CCCC2

InChI

InChI=1S/C13H21N3OS/c1-10(13(14)17)15-7-12-6-11(9-18-12)8-16-4-2-3-5-16/h6,9-10,15H,2-5,7-8H2,1H3,(H2,14,17)/p+2/t10-/m0/s1