2-[(S)-(3-methoxyphenyl)-piperazin-4-ium-1-yl-methyl]-1,3-benzothiazole

Systemtic Name: 2-[(S)-(3-methoxyphenyl)-piperazin-4-ium-1-yl-methyl]-1,3-benzothiazole Openeye Name: 2-[(S)-(3-methoxyphenyl)-piperazin-4-ium-1-yl-methyl]-1,3-benzothiazole CAS Name: 2-[(S)-(3-methoxyphenyl)-(1-piperazin-4-iumyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[(S)-(3-methoxyphenyl)-piperazin-4-ium-1-ylmethyl]-1,3-benzothiazole Traditional Name: 2-[(S)-(3-methoxyphenyl)-piperazin-4-ium-1-yl-methyl]-1,3-benzothiazole Formula: C19H22N3OS+ MolecularWeight: 340.46248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C2=NC3=CC=CC=C3S2)N4CC[NH2+]CC4

Isomeric SMILES

COC1=CC=CC(=C1)[C@@H](C2=NC3=CC=CC=C3S2)N4CC[NH2+]CC4

InChI

InChI=1S/C19H21N3OS/c1-23-15-6-4-5-14(13-15)18(22-11-9-20-10-12-22)19-21-16-7-2-3-8-17(16)24-19/h2-8,13,18,20H,9-12H2,1H3/p+1/t18-/m0/s1