2-[[(2R)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide

Systemtic Name: 2-[[(2R)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide Openeye Name: 2-[[(2R)-2-(4-benzylpiperidin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide CAS Name: 2-[[(2R)-1-oxo-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]propyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[(2R)-2-(4-benzylpiperidin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[(2R)-2-(4-benzylpiperidin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CS1)C(=O)N)[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O2S/c1-14(19(25)22-20-17(18(21)24)9-12-26-20)23-10-7-16(8-11-23)13-15-5-3-2-4-6-15/h2-6,9,12,14,16H,7-8,10-11,13H2,1H3,(H2,21,24)(H,22,25)/p+1/t14-/m1/s1