4-ethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-5-propyl-thiophene-2-carboxamide

Systemtic Name: 4-ethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-5-propyl-thiophene-2-carboxamide Openeye Name: 4-ethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-5-propyl-thiophene-2-carboxamide CAS Name: 4-ethyl-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-5-propyl-2-thiophenecarboxamide IUPAC Name: 4-ethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-5-propylthiophene-2-carboxamide Traditional Name: 4-ethyl-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-5-propyl-thiophene-2-carboxamide Formula: C22H31N2O2S+ MolecularWeight: 387.55874

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(S1)C(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3)CC

Isomeric SMILES

CCCC1=C(C=C(S1)C(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3)CC

InChI

InChI=1S/C22H30N2O2S/c1-3-7-20-17(4-2)14-21(27-20)22(25)23-15-18-8-5-6-9-19(18)16-24-10-12-26-13-11-24/h5-6,8-9,14H,3-4,7,10-13,15-16H2,1-2H3,(H,23,25)/p+1