3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]propanamide

Systemtic Name: 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]propanamide Openeye Name: 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]propanamide CAS Name: 3-(2,4-dimethyl-3-pyrimido[1,2-b]indazolyl)-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]propanamide IUPAC Name: 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]propanamide Traditional Name: 3-(2,4-dimethylpyrimid[1,2-b]indazol-3-yl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]propionamide Formula: C25H30N5OS+ MolecularWeight: 448.6036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=C3C=CC=CC3=NN12)C)CCC(=O)NCC(C4=CC=CS4)[NH+]5CCCC5

Isomeric SMILES

CC1=C(C(=NC2=C3C=CC=CC3=NN12)C)CCC(=O)NC[C@@H](C4=CC=CS4)[NH+]5CCCC5

InChI

InChI=1S/C25H29N5OS/c1-17-19(18(2)30-25(27-17)20-8-3-4-9-21(20)28-30)11-12-24(31)26-16-22(23-10-7-15-32-23)29-13-5-6-14-29/h3-4,7-10,15,22H,5-6,11-14,16H2,1-2H3,(H,26,31)/p+1/t22-/m0/s1