3-chloranyl-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(1-isopropylpiperidin-1-ium-4-ylidene)amino]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(1-propan-2-yl-4-piperidin-1-iumylidene)amino]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(1-isopropylpiperidin-1-ium-4-ylidene)amino]benzothiophene-2-carboxamide Formula: C17H21ClN3OS+ MolecularWeight: 350.88614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(=NNC(=O)C2=C(C3=CC=CC=C3S2)Cl)CC1

Isomeric SMILES

CC(C)[NH+]1CCC(=NNC(=O)C2=C(C3=CC=CC=C3S2)Cl)CC1

InChI

InChI=1S/C17H20ClN3OS/c1-11(2)21-9-7-12(8-10-21)19-20-17(22)16-15(18)13-5-3-4-6-14(13)23-16/h3-6,11H,7-10H2,1-2H3,(H,20,22)/p+1