2-[(R)-piperazin-4-ium-1-yl(pyridin-3-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole

Systemtic Name: 2-[(R)-piperazin-4-ium-1-yl(pyridin-3-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole Openeye Name: 2-[(R)-piperazin-4-ium-1-yl(3-pyridyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole CAS Name: 2-[(R)-1-piperazin-4-iumyl(3-pyridinyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole IUPAC Name: 2-[(R)-piperazin-4-ium-1-yl(pyridin-3-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole Traditional Name: 2-[(R)-piperazin-4-ium-1-yl(3-pyridyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole Formula: C17H23N4S+ MolecularWeight: 315.45632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(S2)C(C3=CN=CC=C3)N4CC[NH2+]CC4

Isomeric SMILES

C1CCC2=C(C1)N=C(S2)[C@@H](C3=CN=CC=C3)N4CC[NH2+]CC4

InChI

InChI=1S/C17H22N4S/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/h3-4,7,12,16,18H,1-2,5-6,8-11H2/p+1/t16-/m1/s1