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

Systemtic Name: 3-[(S)-piperazin-4-ium-1-yl(1,3-thiazol-2-yl)methyl]phenol Openeye Name: 3-[(S)-piperazin-4-ium-1-yl(thiazol-2-yl)methyl]phenol CAS Name: 3-[(S)-1-piperazin-4-iumyl(2-thiazolyl)methyl]phenol IUPAC Name: 3-[(S)-piperazin-4-ium-1-yl(1,3-thiazol-2-yl)methyl]phenol Traditional Name: 3-[(S)-piperazin-4-ium-1-yl(thiazol-2-yl)methyl]phenol Formula: C14H18N3OS+ MolecularWeight: 276.37722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(C2=CC(=CC=C2)O)C3=NC=CS3

Isomeric SMILES

C1CN(CC[NH2+]1)[C@@H](C2=CC(=CC=C2)O)C3=NC=CS3

InChI

InChI=1S/C14H17N3OS/c18-12-3-1-2-11(10-12)13(14-16-6-9-19-14)17-7-4-15-5-8-17/h1-3,6,9-10,13,15,18H,4-5,7-8H2/p+1/t13-/m0/s1