5-(methoxymethyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]thiophene-2-carboxamide

Systemtic Name: 5-(methoxymethyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]thiophene-2-carboxamide Openeye Name: 5-(methoxymethyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]thiophene-2-carboxamide CAS Name: 5-(methoxymethyl)-N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: 5-(methoxymethyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]thiophene-2-carboxamide Traditional Name: 5-(methoxymethyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]thiophene-2-carboxamide Formula: C18H31N3O2S+2 MolecularWeight: 353.52264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)NC(=O)C3=CC=C(S3)COC

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)C3=CC=C(S3)COC

InChI

InChI=1S/C18H29N3O2S/c1-20-10-7-15(8-11-20)21-9-3-4-14(12-21)19-18(22)17-6-5-16(24-17)13-23-2/h5-6,14-15H,3-4,7-13H2,1-2H3,(H,19,22)/p+2/t14-/m0/s1