1-[2,3-bis(4-methylphenyl)-1,2,3,4-tetrazol-2-ium-5-yl]-3-ethyl-3-methyl-4H-isoquinoline perchlorate

Systemtic Name: 1-[2,3-bis(4-methylphenyl)-1,2,3,4-tetrazol-2-ium-5-yl]-3-ethyl-3-methyl-4H-isoquinoline perchlorate Openeye Name: 1-[2,3-bis(p-tolyl)tetrazol-2-ium-5-yl]-3-ethyl-3-methyl-4H-isoquinoline perchlorate CAS Name: 1-[2,3-bis(4-methylphenyl)-5-tetrazol-2-iumyl]-3-ethyl-3-methyl-4H-isoquinoline perchlorate IUPAC Name: 1-[2,3-bis(4-methylphenyl)tetrazol-2-ium-5-yl]-3-ethyl-3-methyl-4H-isoquinoline perchlorate Traditional Name: 1-[2,3-bis(p-tolyl)tetrazol-2-ium-5-yl]-3-ethyl-3-methyl-4H-isoquinoline perchlorate Formula: C27H28ClN5O4 MolecularWeight: 521.99532

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=CC=CC=C2C(=N1)C3=NN([N+](=N3)C4=CC=C(C=C4)C)C5=CC=C(C=C5)C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCC1(CC2=CC=CC=C2C(=N1)C3=NN([N+](=N3)C4=CC=C(C=C4)C)C5=CC=C(C=C5)C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C27H28N5.ClHO4/c1-5-27(4)18-21-8-6-7-9-24(21)25(28-27)26-29-31(22-14-10-19(2)11-15-22)32(30-26)23-16-12-20(3)13-17-23;2-1(3,4)5/h6-17H,5,18H2,1-4H3;(H,2,3,4,5)/q+1;/p-1