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

Systemtic Name: 4-[(S)-(1-phenethyl-1,2,3,4-tetrazol-5-yl)-quinolin-6-yl-methyl]morpholin-4-ium Openeye Name: 4-[(S)-(1-phenethyltetrazol-5-yl)-(6-quinolyl)methyl]morpholin-4-ium CAS Name: 4-[(S)-(1-phenethyl-5-tetrazolyl)-(6-quinolinyl)methyl]morpholin-4-ium IUPAC Name: 4-[(S)-(1-phenethyltetrazol-5-yl)-quinolin-6-ylmethyl]morpholin-4-ium Traditional Name: 4-[(S)-(1-phenethyltetrazol-5-yl)-(6-quinolyl)methyl]morpholin-4-ium Formula: C23H25N6O+ MolecularWeight: 401.4842

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(C2=CC3=C(C=C2)N=CC=C3)C4=NN=NN4CCC5=CC=CC=C5

Isomeric SMILES

C1COCC[NH+]1[C@@H](C2=CC3=C(C=C2)N=CC=C3)C4=NN=NN4CCC5=CC=CC=C5

InChI

InChI=1S/C23H24N6O/c1-2-5-18(6-3-1)10-12-29-23(25-26-27-29)22(28-13-15-30-16-14-28)20-8-9-21-19(17-20)7-4-11-24-21/h1-9,11,17,22H,10,12-16H2/p+1/t22-/m0/s1