2-(2,3-dihydro-1H-inden-5-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(2,3-dihydro-1H-inden-5-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-indan-5-yl-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(2,3-dihydro-1H-inden-5-yl)-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(2,3-dihydro-1H-inden-5-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-indan-5-yl-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)CC(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)CC(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

InChI

InChI=1S/C21H25N3O/c25-21(15-18-4-5-19-2-1-3-20(19)14-18)24-12-10-23(11-13-24)16-17-6-8-22-9-7-17/h4-9,14H,1-3,10-13,15-16H2/p+1