2-(azepan-1-ium-1-yl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline Openeye Name: 2-(azepan-1-ium-1-yl)-N-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]aniline CAS Name: 2-(1-azepan-1-iumyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline Traditional Name: [2-(azepan-1-ium-1-yl)phenyl]-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]amine Formula: C19H23N4OS+ MolecularWeight: 355.47712

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2=CC=CC=C2NCC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

C1CCC[NH+](CC1)C2=CC=CC=C2NCC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C19H22N4OS/c1-2-6-12-23(11-5-1)16-9-4-3-8-15(16)20-14-18-21-19(22-24-18)17-10-7-13-25-17/h3-4,7-10,13,20H,1-2,5-6,11-12,14H2/p+1