N-methyl-N-[(1R,2R)-2-(1-phenyl-1,2,4-triazol-4-ium-4-yl)-2,3-dihydro-1H-inden-1-yl]benzamide perchlorate

Systemtic Name: N-methyl-N-[(1R,2R)-2-(1-phenyl-1,2,4-triazol-4-ium-4-yl)-2,3-dihydro-1H-inden-1-yl]benzamide perchlorate Openeye Name: N-methyl-N-[(1R,2R)-2-(1-phenyl-1,2,4-triazol-4-ium-4-yl)indan-1-yl]benzamide perchlorate CAS Name: N-methyl-N-[(1R,2R)-2-(1-phenyl-1,2,4-triazol-4-ium-4-yl)-2,3-dihydro-1H-inden-1-yl]benzamide perchlorate IUPAC Name: N-methyl-N-[(1R,2R)-2-(1-phenyl-1,2,4-triazol-4-ium-4-yl)-2,3-dihydro-1H-inden-1-yl]benzamide perchlorate Traditional Name: N-methyl-N-[(1R,2R)-2-(1-phenyl-1,2,4-triazol-4-ium-4-yl)indan-1-yl]benzamide perchlorate Formula: C25H23ClN4O5 MolecularWeight: 494.92692

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1C(CC2=CC=CC=C12)[N+]3=CN(N=C3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CN([C@H]1[C@@H](CC2=CC=CC=C12)[N+]3=CN(N=C3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C25H23N4O.ClHO4/c1-27(25(30)19-10-4-2-5-11-19)24-22-15-9-8-12-20(22)16-23(24)28-17-26-29(18-28)21-13-6-3-7-14-21;2-1(3,4)5/h2-15,17-18,23-24H,16H2,1H3;(H,2,3,4,5)/q+1;/p-1/t23-,24-;/m1./s1