N-[(4-chloranyl-1-methyl-pyrazol-3-yl)methyl]-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(4-chloranyl-1-methyl-pyrazol-3-yl)methyl]-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(4-chloro-1-methyl-pyrazol-3-yl)methyl]-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzothiophene-2-carboxamide CAS Name: N-[(4-chloro-1-methyl-3-pyrazolyl)methyl]-N-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(4-chloro-1-methyl-pyrazol-3-yl)methyl]-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzothiophene-2-carboxamide Formula: C21H26ClN4OS+ MolecularWeight: 417.97534

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CN(CC2=NN(C=C2Cl)C)C(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CN(CC2=NN(C=C2Cl)C)C(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C21H25ClN4OS/c1-3-25-10-6-8-16(25)12-26(14-18-17(22)13-24(2)23-18)21(27)20-11-15-7-4-5-9-19(15)28-20/h4-5,7,9,11,13,16H,3,6,8,10,12,14H2,1-2H3/p+1/t16-/m1/s1