3,6-bis(chloranyl)-N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[(1-ethyl-4-piperidin-1-iumylidene)amino]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]benzothiophene-2-carboxamide Formula: C16H18Cl2N3OS+ MolecularWeight: 371.30462

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(=NNC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)CC1

Isomeric SMILES

CC[NH+]1CCC(=NNC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)CC1

InChI

InChI=1S/C16H17Cl2N3OS/c1-2-21-7-5-11(6-8-21)19-20-16(22)15-14(18)12-4-3-10(17)9-13(12)23-15/h3-4,9H,2,5-8H2,1H3,(H,20,22)/p+1