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

Systemtic Name: 6-[(S)-azepan-1-ium-1-yl-(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]quinoline Openeye Name: 6-[(S)-azepan-1-ium-1-yl-(1-phenethyltetrazol-5-yl)methyl]quinoline CAS Name: 6-[(S)-1-azepan-1-iumyl-(1-phenethyl-5-tetrazolyl)methyl]quinoline IUPAC Name: 6-[(S)-azepan-1-ium-1-yl-(1-phenethyltetrazol-5-yl)methyl]quinoline Traditional Name: 6-[(S)-azepan-1-ium-1-yl-(1-phenethyltetrazol-5-yl)methyl]quinoline Formula: C25H29N6+ MolecularWeight: 413.53796

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(C2=CC3=C(C=C2)N=CC=C3)C4=NN=NN4CCC5=CC=CC=C5

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](C2=CC3=C(C=C2)N=CC=C3)C4=NN=NN4CCC5=CC=CC=C5

InChI

InChI=1S/C25H28N6/c1-2-7-17-30(16-6-1)24(22-12-13-23-21(19-22)11-8-15-26-23)25-27-28-29-31(25)18-14-20-9-4-3-5-10-20/h3-5,8-13,15,19,24H,1-2,6-7,14,16-18H2/p+1/t24-/m0/s1