2,3-dihydro-1H-inden-5-yl-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: 2,3-dihydro-1H-inden-5-yl-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: indan-5-yl-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: 2,3-dihydro-1H-inden-5-yl-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: 2,3-dihydro-1H-inden-5-yl-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: indan-5-yl-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C19H22N3O+ MolecularWeight: 308.39748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C19H21N3O/c23-19(17-5-4-15-2-1-3-16(15)14-17)22-12-10-21(11-13-22)18-6-8-20-9-7-18/h4-9,14H,1-3,10-13H2/p+1