2,3-dihydro-1H-inden-2-yl-[1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-yl]azanium

Systemtic Name: 2,3-dihydro-1H-inden-2-yl-[1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-yl]azanium Openeye Name: indan-2-yl-[1-[4-(1,2,4-triazol-1-yl)phenyl]-4-piperidyl]ammonium CAS Name: 2,3-dihydro-1H-inden-2-yl-[1-[4-(1,2,4-triazol-1-yl)phenyl]-4-piperidinyl]ammonium IUPAC Name: 2,3-dihydro-1H-inden-2-yl-[1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-yl]azanium Traditional Name: indan-2-yl-[1-[4-(1,2,4-triazol-1-yl)phenyl]-4-piperidyl]ammonium Formula: C22H26N5+ MolecularWeight: 360.47534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]C2CC3=CC=CC=C3C2)C4=CC=C(C=C4)N5C=NC=N5

Isomeric SMILES

C1CN(CCC1[NH2+]C2CC3=CC=CC=C3C2)C4=CC=C(C=C4)N5C=NC=N5

InChI

InChI=1S/C22H25N5/c1-2-4-18-14-20(13-17(18)3-1)25-19-9-11-26(12-10-19)21-5-7-22(8-6-21)27-16-23-15-24-27/h1-8,15-16,19-20,25H,9-14H2/p+1