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

Systemtic Name: N-[(4-chloranyl-1-methyl-pyrazol-3-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-1-benzothiophene-2-carboxamide Openeye Name: N-[(4-chloro-1-methyl-pyrazol-3-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)benzothiophene-2-carboxamide CAS Name: N-[(4-chloro-1-methyl-3-pyrazolyl)methyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-1-benzothiophene-2-carboxamide Traditional Name: N-[(4-chloro-1-methyl-pyrazol-3-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)benzothiophene-2-carboxamide Formula: C20H24ClN4O2S+ MolecularWeight: 419.94816

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)CN(CC[NH+]2CCOCC2)C(=O)C3=CC4=CC=CC=C4S3)Cl

Isomeric SMILES

CN1C=C(C(=N1)CN(CC[NH+]2CCOCC2)C(=O)C3=CC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H23ClN4O2S/c1-23-13-16(21)17(22-23)14-25(7-6-24-8-10-27-11-9-24)20(26)19-12-15-4-2-3-5-18(15)28-19/h2-5,12-13H,6-11,14H2,1H3/p+1