N-(phenylmethyl)-4,5,6,7-tetrahydro-1,3-thiazepin-3-ium-2-amine

Systemtic Name: N-(phenylmethyl)-4,5,6,7-tetrahydro-1,3-thiazepin-3-ium-2-amine Openeye Name: N-benzyl-4,5,6,7-tetrahydro-1,3-thiazepin-3-ium-2-amine CAS Name: N-(phenylmethyl)-4,5,6,7-tetrahydro-1,3-thiazepin-3-ium-2-amine IUPAC Name: N-benzyl-4,5,6,7-tetrahydro-1,3-thiazepin-3-ium-2-amine Traditional Name: benzyl(4,5,6,7-tetrahydro-1,3-thiazepin-3-ium-2-yl)amine Formula: C12H17N2S+ MolecularWeight: 221.34178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCSC(=[NH+]C1)NCC2=CC=CC=C2

Isomeric SMILES

C1CCSC(=[NH+]C1)NCC2=CC=CC=C2

InChI

InChI=1S/C12H16N2S/c1-2-6-11(7-3-1)10-14-12-13-8-4-5-9-15-12/h1-3,6-7H,4-5,8-10H2,(H,13,14)/p+1