6-butyl-2-piperidin-1-ium-4-yl-1,3-benzothiazole

Systemtic Name: 6-butyl-2-piperidin-1-ium-4-yl-1,3-benzothiazole Openeye Name: 6-butyl-2-piperidin-1-ium-4-yl-1,3-benzothiazole CAS Name: 6-butyl-2-(4-piperidin-1-iumyl)-1,3-benzothiazole IUPAC Name: 6-butyl-2-piperidin-1-ium-4-yl-1,3-benzothiazole Traditional Name: 6-butyl-2-piperidin-1-ium-4-yl-1,3-benzothiazole Formula: C16H23N2S+ MolecularWeight: 275.43222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)C3CC[NH2+]CC3

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)C3CC[NH2+]CC3

InChI

InChI=1S/C16H22N2S/c1-2-3-4-12-5-6-14-15(11-12)19-16(18-14)13-7-9-17-10-8-13/h5-6,11,13,17H,2-4,7-10H2,1H3/p+1