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

Systemtic Name: 2-[[(2R)-2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide Openeye Name: 2-[[(2R)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide CAS Name: 2-[[(2R)-2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[(2R)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[(2R)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide Formula: C20H31N4O3S+ MolecularWeight: 407.55014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)[NH+]2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CS1)C(=O)N)[NH+]2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H30N4O3S/c1-14(18(26)22-19-16(17(21)25)8-13-28-19)23-11-6-15(7-12-23)20(27)24-9-4-2-3-5-10-24/h8,13-15H,2-7,9-12H2,1H3,(H2,21,25)(H,22,26)/p+1/t14-/m1/s1