5-methyl-N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]thiophene-2-carboxamide

Systemtic Name: 5-methyl-N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]thiophene-2-carboxamide Openeye Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-5-methyl-thiophene-2-carboxamide CAS Name: 5-methyl-N-[(3S)-1-(phenylmethyl)-3-piperidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-5-methylthiophene-2-carboxamide Traditional Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-5-methyl-thiophene-2-carboxamide Formula: C18H23N2OS+ MolecularWeight: 315.45302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)NC2CCC[NH+](C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(S1)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H22N2OS/c1-14-9-10-17(22-14)18(21)19-16-8-5-11-20(13-16)12-15-6-3-2-4-7-15/h2-4,6-7,9-10,16H,5,8,11-13H2,1H3,(H,19,21)/p+1/t16-/m0/s1