5-acetamido-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide

Systemtic Name: 5-acetamido-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide Openeye Name: 5-acetamido-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide CAS Name: 5-acetamido-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-2-thiophenecarboxamide IUPAC Name: 5-acetamido-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide Traditional Name: 5-acetamido-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]thiophene-2-carboxamide Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(S1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(S1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C20H25N3O2S/c1-15(24)22-19-10-9-18(26-19)20(25)21-13-16-5-7-17(8-6-16)14-23-11-3-2-4-12-23/h5-10H,2-4,11-14H2,1H3,(H,21,25)(H,22,24)/p+1