N'-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]-1-piperidin-1-ium-1-ylidene-methanediamine

Systemtic Name: N'-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]-1-piperidin-1-ium-1-ylidene-methanediamine Openeye Name: N'-[4-phenyl-5-(trifluoromethyl)-3-thienyl]-1-piperidin-1-ium-1-ylidene-methanediamine CAS Name: N'-[4-phenyl-5-(trifluoromethyl)-3-thiophenyl]-1-(1-piperidin-1-iumylidene)methanediamine IUPAC Name: N'-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]-1-piperidin-1-ium-1-ylidenemethanediamine Traditional Name: [amino(piperidin-1-ium-1-ylidene)methyl]-[4-phenyl-5-(trifluoromethyl)-3-thienyl]amine Formula: C17H19F3N3S+ MolecularWeight: 354.41307

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C(N)NC2=CSC(=C2C3=CC=CC=C3)C(F)(F)F)CC1

Isomeric SMILES

C1CC[N+](=C(N)NC2=CSC(=C2C3=CC=CC=C3)C(F)(F)F)CC1

InChI

InChI=1S/C17H18F3N3S/c18-17(19,20)15-14(12-7-3-1-4-8-12)13(11-24-15)22-16(21)23-9-5-2-6-10-23/h1,3-4,7-8,11H,2,5-6,9-10H2,(H2,21,22)/p+1