5-(azepan-1-ium-1-ylmethyl)-4-phenyl-1,3-thiazol-2-amine

Systemtic Name: 5-(azepan-1-ium-1-ylmethyl)-4-phenyl-1,3-thiazol-2-amine Openeye Name: 5-(azepan-1-ium-1-ylmethyl)-4-phenyl-thiazol-2-amine CAS Name: 5-(1-azepan-1-iumylmethyl)-4-phenyl-2-thiazolamine IUPAC Name: 5-(azepan-1-ium-1-ylmethyl)-4-phenyl-1,3-thiazol-2-amine Traditional Name: [5-(azepan-1-ium-1-ylmethyl)-4-phenyl-thiazol-2-yl]amine Formula: C16H22N3S+ MolecularWeight: 288.43098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(N=C(S2)N)C3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(N=C(S2)N)C3=CC=CC=C3

InChI

InChI=1S/C16H21N3S/c17-16-18-15(13-8-4-3-5-9-13)14(20-16)12-19-10-6-1-2-7-11-19/h3-5,8-9H,1-2,6-7,10-12H2,(H2,17,18)/p+1