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

Systemtic Name: 1-phenethyl-N-[4-(1,2,3,4-tetrazol-1-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-phenethyl-N-[4-(tetrazol-1-yl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-phenethyl-N-[4-(1-tetrazolyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-phenethyl-N-[4-(tetrazol-1-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-phenethyl-N-[4-(tetrazol-1-yl)phenyl]piperidin-1-ium-4-carboxamide Formula: C21H25N6O+ MolecularWeight: 377.4628

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)N3C=NN=N3)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)N3C=NN=N3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H24N6O/c28-21(23-19-6-8-20(9-7-19)27-16-22-24-25-27)18-11-14-26(15-12-18)13-10-17-4-2-1-3-5-17/h1-9,16,18H,10-15H2,(H,23,28)/p+1