2-[(E)-3-thiophen-2-ylprop-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine

Systemtic Name: 2-[(E)-3-thiophen-2-ylprop-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Openeye Name: 2-[(E)-3-(2-thienyl)allyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine CAS Name: 2-[(E)-3-thiophen-2-ylprop-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine IUPAC Name: 2-[(E)-3-thiophen-2-ylprop-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Traditional Name: [2-[(E)-3-(2-thienyl)allyl]-3,4,5,6-tetrahydro-2H-azepin-7-yl]amine Formula: C13H18N2S MolecularWeight: 234.36042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NC(C1)CC=CC2=CC=CS2)N

Isomeric SMILES

C1CCC(=NC(C1)C/C=C/C2=CC=CS2)N

InChI

InChI=1S/C13H18N2S/c14-13-9-2-1-5-11(15-13)6-3-7-12-8-4-10-16-12/h3-4,7-8,10-11H,1-2,5-6,9H2,(H2,14,15)/b7-3+