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

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine Openeye Name: 3-(azepan-1-ium-1-ylmethyl)-4-(4-chlorophenyl)isoxazol-5-amine CAS Name: 3-(1-azepan-1-iumylmethyl)-4-(4-chlorophenyl)-5-isoxazolamine IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine Traditional Name: [3-(azepan-1-ium-1-ylmethyl)-4-(4-chlorophenyl)isoxazol-5-yl]amine Formula: C16H21ClN3O+ MolecularWeight: 306.81044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3O/c17-13-7-5-12(6-8-13)15-14(19-21-16(15)18)11-20-9-3-1-2-4-10-20/h5-8H,1-4,9-11,18H2/p+1