N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-1-benzothiophene-2-carboxamide Openeye Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)benzothiophene-2-carboxamide CAS Name: N-[(2,5-dimethyl-3-pyrazolyl)methyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-1-benzothiophene-2-carboxamide Traditional Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)benzothiophene-2-carboxamide Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)CN(CC[NH+]2CCOCC2)C(=O)C3=CC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=NN(C(=C1)CN(CC[NH+]2CCOCC2)C(=O)C3=CC4=CC=CC=C4S3)C

InChI

InChI=1S/C21H26N4O2S/c1-16-13-18(23(2)22-16)15-25(8-7-24-9-11-27-12-10-24)21(26)20-14-17-5-3-4-6-19(17)28-20/h3-6,13-14H,7-12,15H2,1-2H3/p+1