1-[(S)-(1-phenethyl-1,2,3,4-tetrazol-5-yl)-quinolin-6-yl-methyl]piperidin-1-ium-4-ol

Systemtic Name: 1-[(S)-(1-phenethyl-1,2,3,4-tetrazol-5-yl)-quinolin-6-yl-methyl]piperidin-1-ium-4-ol Openeye Name: 1-[(S)-(1-phenethyltetrazol-5-yl)-(6-quinolyl)methyl]piperidin-1-ium-4-ol CAS Name: 1-[(S)-(1-phenethyl-5-tetrazolyl)-(6-quinolinyl)methyl]-4-piperidin-1-iumol IUPAC Name: 1-[(S)-(1-phenethyltetrazol-5-yl)-quinolin-6-ylmethyl]piperidin-1-ium-4-ol Traditional Name: 1-[(S)-(1-phenethyltetrazol-5-yl)-(6-quinolyl)methyl]piperidin-1-ium-4-ol Formula: C24H27N6O+ MolecularWeight: 415.51078

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)C(C2=CC3=C(C=C2)N=CC=C3)C4=NN=NN4CCC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1O)[C@@H](C2=CC3=C(C=C2)N=CC=C3)C4=NN=NN4CCC5=CC=CC=C5

InChI

InChI=1S/C24H26N6O/c31-21-11-14-29(15-12-21)23(20-8-9-22-19(17-20)7-4-13-25-22)24-26-27-28-30(24)16-10-18-5-2-1-3-6-18/h1-9,13,17,21,23,31H,10-12,14-16H2/p+1/t23-/m0/s1