1-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-(4-phenoxybutyl)-1,2,3,4-tetrazol-1-ium-1-yl]pentan-1-one

Systemtic Name: 1-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-(4-phenoxybutyl)-1,2,3,4-tetrazol-1-ium-1-yl]pentan-1-one Openeye Name: 1-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-(4-phenoxybutyl)tetrazol-1-ium-1-yl]pentan-1-one CAS Name: 1-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-(4-phenoxybutyl)-1-tetrazol-1-iumyl]-1-pentanone IUPAC Name: 1-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-(4-phenoxybutyl)tetrazol-1-ium-1-yl]pentan-1-one Traditional Name: 1-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-(4-phenoxybutyl)tetrazol-1-ium-1-yl]pentan-1-one Formula: C29H34N5O2+ MolecularWeight: 484.61256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)[N+]1(C(=NN=N1)C2=CC=CC=C2C3=CC=C(C=C3)CN)CCCCOC4=CC=CC=C4

Isomeric SMILES

CCCCC(=O)[N+]1(C(=NN=N1)C2=CC=CC=C2C3=CC=C(C=C3)CN)CCCCOC4=CC=CC=C4

InChI

InChI=1S/C29H34N5O2/c1-2-3-15-28(35)34(20-9-10-21-36-25-11-5-4-6-12-25)29(31-32-33-34)27-14-8-7-13-26(27)24-18-16-23(22-30)17-19-24/h4-8,11-14,16-19H,2-3,9-10,15,20-22,30H2,1H3/q+1