2-[(R)-piperazin-4-ium-1-yl(pyridin-3-yl)methyl]-1,3-benzothiazole

Systemtic Name: 2-[(R)-piperazin-4-ium-1-yl(pyridin-3-yl)methyl]-1,3-benzothiazole Openeye Name: 2-[(R)-piperazin-4-ium-1-yl(3-pyridyl)methyl]-1,3-benzothiazole CAS Name: 2-[(R)-1-piperazin-4-iumyl(3-pyridinyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[(R)-piperazin-4-ium-1-yl(pyridin-3-yl)methyl]-1,3-benzothiazole Traditional Name: 2-[(R)-piperazin-4-ium-1-yl(3-pyridyl)methyl]-1,3-benzothiazole Formula: C17H19N4S+ MolecularWeight: 311.42456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(C2=CN=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC[NH2+]1)[C@H](C2=CN=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H18N4S/c1-2-6-15-14(5-1)20-17(22-15)16(13-4-3-7-19-12-13)21-10-8-18-9-11-21/h1-7,12,16,18H,8-11H2/p+1/t16-/m1/s1