2-[1-[(1-propyl-1,2,3,4-tetrazol-5-yl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-[(1-propyl-1,2,3,4-tetrazol-5-yl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole CAS Name: 2-[1-[(1-propyl-5-tetrazolyl)methyl]-4-piperidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Formula: C17H23N6S+ MolecularWeight: 343.46972

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCN1C(=NN=N1)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H22N6S/c1-2-9-23-16(19-20-21-23)12-22-10-7-13(8-11-22)17-18-14-5-3-4-6-15(14)24-17/h3-6,13H,2,7-12H2,1H3/p+1