1-(1-benzothiophen-2-ylmethyl)-N-[4-(1,2,3,4-tetrazol-1-yl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(1-benzothiophen-2-ylmethyl)-N-[4-(1,2,3,4-tetrazol-1-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-(benzothiophen-2-ylmethyl)-N-[4-(tetrazol-1-yl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-(1-benzothiophen-2-ylmethyl)-N-[4-(1-tetrazolyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(1-benzothiophen-2-ylmethyl)-N-[4-(tetrazol-1-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(benzothiophen-2-ylmethyl)-N-[4-(tetrazol-1-yl)phenyl]piperidin-1-ium-4-carboxamide Formula: C22H23N6OS+ MolecularWeight: 419.52262

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)N3C=NN=N3)CC4=CC5=CC=CC=C5S4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)N3C=NN=N3)CC4=CC5=CC=CC=C5S4

InChI

InChI=1S/C22H22N6OS/c29-22(24-18-5-7-19(8-6-18)28-15-23-25-26-28)16-9-11-27(12-10-16)14-20-13-17-3-1-2-4-21(17)30-20/h1-8,13,15-16H,9-12,14H2,(H,24,29)/p+1