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

Systemtic Name: N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]-1-benzothiophene-3-carboxamide Openeye Name: N-[(1-isopropylpiperidin-1-ium-4-ylidene)amino]benzothiophene-3-carboxamide CAS Name: N-[(1-propan-2-yl-4-piperidin-1-iumylidene)amino]-1-benzothiophene-3-carboxamide IUPAC Name: N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]-1-benzothiophene-3-carboxamide Traditional Name: N-[(1-isopropylpiperidin-1-ium-4-ylidene)amino]benzothiophene-3-carboxamide Formula: C17H22N3OS+ MolecularWeight: 316.44108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(=NNC(=O)C2=CSC3=CC=CC=C32)CC1

Isomeric SMILES

CC(C)[NH+]1CCC(=NNC(=O)C2=CSC3=CC=CC=C32)CC1

InChI

InChI=1S/C17H21N3OS/c1-12(2)20-9-7-13(8-10-20)18-19-17(21)15-11-22-16-6-4-3-5-14(15)16/h3-6,11-12H,7-10H2,1-2H3,(H,19,21)/p+1