6-methyl-2-phenethyl-3-(4-propylpiperazin-4-ium-1-yl)carbonyl-1-(pyridin-4-ylmethyl)pyridin-4-one

Systemtic Name: 6-methyl-2-phenethyl-3-(4-propylpiperazin-4-ium-1-yl)carbonyl-1-(pyridin-4-ylmethyl)pyridin-4-one Openeye Name: 6-methyl-2-phenethyl-3-(4-propylpiperazin-4-ium-1-carbonyl)-1-(4-pyridylmethyl)pyridin-4-one CAS Name: 6-methyl-3-[oxo-(4-propyl-1-piperazin-4-iumyl)methyl]-2-phenethyl-1-(pyridin-4-ylmethyl)-4-pyridinone IUPAC Name: 6-methyl-2-phenethyl-3-(4-propylpiperazin-4-ium-1-carbonyl)-1-(pyridin-4-ylmethyl)pyridin-4-one Traditional Name: 6-methyl-2-phenethyl-3-(4-propylpiperazin-4-ium-1-carbonyl)-1-(4-pyridylmethyl)-4-pyridone Formula: C28H35N4O2+ MolecularWeight: 459.6031

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2=C(N(C(=CC2=O)C)CC3=CC=NC=C3)CCC4=CC=CC=C4

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)C2=C(N(C(=CC2=O)C)CC3=CC=NC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C28H34N4O2/c1-3-15-30-16-18-31(19-17-30)28(34)27-25(10-9-23-7-5-4-6-8-23)32(22(2)20-26(27)33)21-24-11-13-29-14-12-24/h4-8,11-14,20H,3,9-10,15-19,21H2,1-2H3/p+1