1-[(S)-(1-phenethyl-1,2,3,4-tetrazol-5-yl)-phenyl-methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(S)-(1-phenethyl-1,2,3,4-tetrazol-5-yl)-phenyl-methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(S)-(1-phenethyltetrazol-5-yl)-phenyl-methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(S)-(1-phenethyl-5-tetrazolyl)-phenylmethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(S)-(1-phenethyltetrazol-5-yl)-phenylmethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(S)-(1-phenethyltetrazol-5-yl)-phenyl-methyl]piperidin-1-ium-4-carboxamide Formula: C22H27N6O+ MolecularWeight: 391.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)C(C2=CC=CC=C2)C3=NN=NN3CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)[C@@H](C2=CC=CC=C2)C3=NN=NN3CCC4=CC=CC=C4

InChI

InChI=1S/C22H26N6O/c23-21(29)19-12-14-27(15-13-19)20(18-9-5-2-6-10-18)22-24-25-26-28(22)16-11-17-7-3-1-4-8-17/h1-10,19-20H,11-16H2,(H2,23,29)/p+1/t20-/m0/s1