5-thiophen-3-yl-8,9,10,12-tetrahydro-7H-pyrido[1,2-b][2]benzazepin-11-ium

Systemtic Name: 5-thiophen-3-yl-8,9,10,12-tetrahydro-7H-pyrido[1,2-b][2]benzazepin-11-ium Openeye Name: 5-(3-thienyl)-8,9,10,12-tetrahydro-7H-pyrido[1,2-b][2]benzazepin-11-ium CAS Name: 5-(3-thiophenyl)-8,9,10,12-tetrahydro-7H-pyrido[1,2-b][2]benzazepin-11-ium IUPAC Name: 5-thiophen-3-yl-8,9,10,12-tetrahydro-7H-pyrido[1,2-b][2]benzazepin-11-ium Traditional Name: 5-(3-thienyl)-8,9,10,12-tetrahydro-7H-pyrido[1,2-b][2]benzazepin-11-ium Formula: C18H18NS+ MolecularWeight: 280.40722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+]2=C(C1)C=C(C3=CC=CC=C3C2)C4=CSC=C4

Isomeric SMILES

C1CC[N+]2=C(C1)C=C(C3=CC=CC=C3C2)C4=CSC=C4

InChI

InChI=1S/C18H18NS/c1-2-7-17-14(5-1)12-19-9-4-3-6-16(19)11-18(17)15-8-10-20-13-15/h1-2,5,7-8,10-11,13H,3-4,6,9,12H2/q+1