(2R)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]imino-propanenitrile

Systemtic Name: (2R)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]imino-propanenitrile Openeye Name: (2R)-2-(4-methylthiazol-2-yl)-3-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]imino-propanenitrile CAS Name: (2R)-2-(4-methyl-2-thiazolyl)-3-[(2R)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]iminopropanenitrile IUPAC Name: (2R)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]iminopropanenitrile Traditional Name: (2R)-2-(4-methylthiazol-2-yl)-3-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]imino-propionitrile Formula: C17H21N4S2+ MolecularWeight: 345.50544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C=NCC(C2=CC=CS2)[NH+]3CCCC3)C#N

Isomeric SMILES

CC1=CSC(=N1)[C@H](C=NC[C@H](C2=CC=CS2)[NH+]3CCCC3)C#N

InChI

InChI=1S/C17H20N4S2/c1-13-12-23-17(20-13)14(9-18)10-19-11-15(16-5-4-8-22-16)21-6-2-3-7-21/h4-5,8,10,12,14-15H,2-3,6-7,11H2,1H3/p+1/t14-,15+/m0/s1