N-[5-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: N-[5-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Openeye Name: N-[5-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]benzamide CAS Name: N-[5-(1-azepan-1-iumylmethyl)-2-thiazolyl]benzamide IUPAC Name: N-[5-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Traditional Name: N-[5-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]benzamide Formula: C17H22N3OS+ MolecularWeight: 316.44108

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CN=C(S2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CN=C(S2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3OS/c21-16(14-8-4-3-5-9-14)19-17-18-12-15(22-17)13-20-10-6-1-2-7-11-20/h3-5,8-9,12H,1-2,6-7,10-11,13H2,(H,18,19,21)/p+1