3,6-bis(chloranyl)-N-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3,6-dichloro-N-phenyl-benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-phenyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3,6-dichloro-N-phenyl-1-benzothiophene-2-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3,6-dichloro-N-phenyl-benzothiophene-2-carboxamide Formula: C27H25Cl2N2OS+ MolecularWeight: 496.4712

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N(C2=CC=CC=C2)C(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1N(C2=CC=CC=C2)C(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C27H24Cl2N2OS/c28-20-11-12-23-24(17-20)33-26(25(23)29)27(32)31(21-9-5-2-6-10-21)22-13-15-30(16-14-22)18-19-7-3-1-4-8-19/h1-12,17,22H,13-16,18H2/p+1