(3-butoxyphenyl)-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-butoxyphenyl)-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-butoxyphenyl)-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone CAS Name: (3-butoxyphenyl)-[4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-butoxyphenyl)-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-butoxyphenyl)-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CCC3=CC=NC=C3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CCC3=CC=NC=C3

InChI

InChI=1S/C22H29N3O2/c1-2-3-17-27-21-6-4-5-20(18-21)22(26)25-15-13-24(14-16-25)12-9-19-7-10-23-11-8-19/h4-8,10-11,18H,2-3,9,12-17H2,1H3/p+1