N-[2-chloranyl-5-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]carbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-chloranyl-5-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]carbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[2-chloro-5-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]carbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[2-chloro-5-[[[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]amino]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-chloro-5-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-chloro-5-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]carbamoyl]phenyl]thiophene-2-carboxamide Formula: C26H29ClN3O3S+ MolecularWeight: 499.04476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=CS3)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=CS3)[NH+]4CCCCC4

InChI

InChI=1S/C26H28ClN3O3S/c1-33-20-10-7-18(8-11-20)23(30-13-3-2-4-14-30)17-28-25(31)19-9-12-21(27)22(16-19)29-26(32)24-6-5-15-34-24/h5-12,15-16,23H,2-4,13-14,17H2,1H3,(H,28,31)(H,29,32)/p+1/t23-/m0/s1