1-(isoquinolin-5-ylmethyl)-N-[4-(1,2,3,4-tetrazol-1-yl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(isoquinolin-5-ylmethyl)-N-[4-(1,2,3,4-tetrazol-1-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-(5-isoquinolylmethyl)-N-[4-(tetrazol-1-yl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-(5-isoquinolinylmethyl)-N-[4-(1-tetrazolyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(isoquinolin-5-ylmethyl)-N-[4-(tetrazol-1-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(5-isoquinolylmethyl)-N-[4-(tetrazol-1-yl)phenyl]piperidin-1-ium-4-carboxamide Formula: C23H24N7O+ MolecularWeight: 414.48296

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)N3C=NN=N3)CC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)N3C=NN=N3)CC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C23H23N7O/c31-23(26-20-4-6-21(7-5-20)30-16-25-27-28-30)17-9-12-29(13-10-17)15-19-3-1-2-18-14-24-11-8-22(18)19/h1-8,11,14,16-17H,9-10,12-13,15H2,(H,26,31)/p+1