2-(cyclopentylmethyl)-1-(3-methoxypropyl)-6-methyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridin-4-one

Systemtic Name: 2-(cyclopentylmethyl)-1-(3-methoxypropyl)-6-methyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridin-4-one Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(cyclopentylmethyl)-1-(3-methoxypropyl)-6-methyl-pyridin-4-one CAS Name: 2-(cyclopentylmethyl)-1-(3-methoxypropyl)-6-methyl-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-4-pyridinone IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(cyclopentylmethyl)-1-(3-methoxypropyl)-6-methylpyridin-4-one Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(cyclopentylmethyl)-1-(3-methoxypropyl)-6-methyl-4-pyridone Formula: C28H40N3O3+ MolecularWeight: 466.6355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CCCOC)CC2CCCC2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)C(=C(N1CCCOC)CC2CCCC2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H39N3O3/c1-22-19-26(32)27(25(20-23-9-6-7-10-23)31(22)13-8-18-34-2)28(33)30-16-14-29(15-17-30)21-24-11-4-3-5-12-24/h3-5,11-12,19,23H,6-10,13-18,20-21H2,1-2H3/p+1