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

Systemtic Name: 3,6-bis(chloranyl)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[(1-propyl-4-piperidin-1-iumylidene)amino]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]benzothiophene-2-carboxamide Formula: C17H20Cl2N3OS+ MolecularWeight: 385.3312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19Cl2N3OS/c1-2-7-22-8-5-12(6-9-22)20-21-17(23)16-15(19)13-4-3-11(18)10-14(13)24-16/h3-4,10H,2,5-9H2,1H3,(H,21,23)/p+1