3-chloranyl-4-methyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-4-methyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-4-methyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-4-methyl-N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-4-methyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-4-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]benzothiophene-2-carboxamide Formula: C22H24ClN2O2S+ MolecularWeight: 415.95616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=C2Cl)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCOCC4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=C2Cl)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C22H23ClN2O2S/c1-15-3-2-4-18-19(15)20(23)21(28-18)22(26)24-13-16-5-7-17(8-6-16)14-25-9-11-27-12-10-25/h2-8H,9-14H2,1H3,(H,24,26)/p+1