3-(4-ethylphenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]propanamide

Systemtic Name: 3-(4-ethylphenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]propanamide Openeye Name: 3-(4-ethylphenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]propanamide CAS Name: 3-(4-ethylphenyl)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]propanamide IUPAC Name: 3-(4-ethylphenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]propanamide Traditional Name: 3-(4-ethylphenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]propionamide Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CCC1=CC=C(C=C1)CCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H28N4O/c1-3-17-4-6-18(7-5-17)8-11-21(26)23-19-9-10-20(22-16-19)25-14-12-24(2)13-15-25/h4-7,9-10,16H,3,8,11-15H2,1-2H3,(H,23,26)/p+1