(3S)-3-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-ium-1-yl]azepan-2-one

Systemtic Name: (3S)-3-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-ium-1-yl]azepan-2-one Openeye Name: (3S)-3-[4-[(2-methylthiazol-4-yl)methyl]piperazin-1-ium-1-yl]azepan-2-one CAS Name: (3S)-3-[4-[(2-methyl-4-thiazolyl)methyl]-1-piperazin-1-iumyl]-2-azepanone IUPAC Name: (3S)-3-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-ium-1-yl]azepan-2-one Traditional Name: (3S)-3-[4-[(2-methylthiazol-4-yl)methyl]piperazin-1-ium-1-yl]azepan-2-one Formula: C15H25N4OS+ MolecularWeight: 309.4502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CC[NH+](CC2)C3CCCCNC3=O

Isomeric SMILES

CC1=NC(=CS1)CN2CC[NH+](CC2)[C@H]3CCCCNC3=O

InChI

InChI=1S/C15H24N4OS/c1-12-17-13(11-21-12)10-18-6-8-19(9-7-18)14-4-2-3-5-16-15(14)20/h11,14H,2-10H2,1H3,(H,16,20)/p+1/t14-/m0/s1