4-butoxy-N-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide

Systemtic Name: 4-butoxy-N-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide Openeye Name: 4-butoxy-N-[2-oxo-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide CAS Name: 4-butoxy-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethyl]benzamide IUPAC Name: 4-butoxy-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide Traditional Name: 4-butoxy-N-[2-keto-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C23H30N4O3/c1-2-3-16-30-21-6-4-20(5-7-21)23(29)25-17-22(28)27-14-12-26(13-15-27)18-19-8-10-24-11-9-19/h4-11H,2-3,12-18H2,1H3,(H,25,29)/p+1