(4-propan-2-yloxyphenyl)-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-propan-2-yloxyphenyl)-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-isopropoxyphenyl)-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-propan-2-yloxyphenyl)-[4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-propan-2-yloxyphenyl)-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-isopropoxyphenyl)-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CCC3=CC=NC=C3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CCC3=CC=NC=C3

InChI

InChI=1S/C21H27N3O2/c1-17(2)26-20-5-3-19(4-6-20)21(25)24-15-13-23(14-16-24)12-9-18-7-10-22-11-8-18/h3-8,10-11,17H,9,12-16H2,1-2H3/p+1