1-methyl-1-phenethyl-5-[5-(2-phenylcyclohexa-1,3-dien-1-yl)oxypentyl]-1,2,3,4-tetrazol-1-ium

Systemtic Name: 1-methyl-1-phenethyl-5-[5-(2-phenylcyclohexa-1,3-dien-1-yl)oxypentyl]-1,2,3,4-tetrazol-1-ium Openeye Name: 1-methyl-1-phenethyl-5-[5-(2-phenylcyclohexa-1,3-dien-1-yl)oxypentyl]tetrazol-1-ium CAS Name: 1-methyl-1-phenethyl-5-[5-[(2-phenyl-1-cyclohexa-1,3-dienyl)oxy]pentyl]tetrazol-1-ium IUPAC Name: 1-methyl-1-phenethyl-5-[5-(2-phenylcyclohexa-1,3-dien-1-yl)oxypentyl]tetrazol-1-ium Traditional Name: 1-methyl-1-phenethyl-5-[5-(2-phenylcyclohexa-1,3-dien-1-yl)oxypentyl]tetrazol-1-ium Formula: C27H33N4O+ MolecularWeight: 429.57712

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=NN=N1)CCCCCOC2=C(C=CCC2)C3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

C[N+]1(C(=NN=N1)CCCCCOC2=C(C=CCC2)C3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H33N4O/c1-31(21-20-23-13-5-2-6-14-23)27(28-29-30-31)19-9-4-12-22-32-26-18-11-10-17-25(26)24-15-7-3-8-16-24/h2-3,5-8,10,13-17H,4,9,11-12,18-22H2,1H3/q+1