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

Systemtic Name: 4-ethoxy-N-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide Openeye Name: 4-ethoxy-N-[2-oxo-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide CAS Name: 4-ethoxy-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethyl]benzamide IUPAC Name: 4-ethoxy-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide Traditional Name: 4-ethoxy-N-[2-keto-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C21H26N4O3/c1-2-28-19-5-3-18(4-6-19)21(27)23-15-20(26)25-13-11-24(12-14-25)16-17-7-9-22-10-8-17/h3-10H,2,11-16H2,1H3,(H,23,27)/p+1