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

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-4-phenyl-1,2-oxazol-5-amine Openeye Name: 3-(azepan-1-ium-1-ylmethyl)-4-phenyl-isoxazol-5-amine CAS Name: 3-(1-azepan-1-iumylmethyl)-4-phenyl-5-isoxazolamine IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)-4-phenyl-1,2-oxazol-5-amine Traditional Name: [3-(azepan-1-ium-1-ylmethyl)-4-phenyl-isoxazol-5-yl]amine Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=NOC(=C2C3=CC=CC=C3)N

Isomeric SMILES

C1CCC[NH+](CC1)CC2=NOC(=C2C3=CC=CC=C3)N

InChI

InChI=1S/C16H21N3O/c17-16-15(13-8-4-3-5-9-13)14(18-20-16)12-19-10-6-1-2-7-11-19/h3-5,8-9H,1-2,6-7,10-12,17H2/p+1