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

Systemtic Name: 2-[(R)-phenyl(piperazin-4-ium-1-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole Openeye Name: 2-[(R)-phenyl(piperazin-4-ium-1-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole CAS Name: 2-[(R)-phenyl(1-piperazin-4-iumyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole IUPAC Name: 2-[(R)-phenyl(piperazin-4-ium-1-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole Traditional Name: 2-[(R)-phenyl(piperazin-4-ium-1-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole Formula: C18H24N3S+ MolecularWeight: 314.46826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3S/c1-2-6-14(7-3-1)17(21-12-10-19-11-13-21)18-20-15-8-4-5-9-16(15)22-18/h1-3,6-7,17,19H,4-5,8-13H2/p+1/t17-/m1/s1