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

Systemtic Name: 2-(cyclopentylmethyl)-6-methyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1-(pyridin-3-ylmethyl)pyridin-4-one Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(cyclopentylmethyl)-6-methyl-1-(3-pyridylmethyl)pyridin-4-one CAS Name: 2-(cyclopentylmethyl)-6-methyl-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1-(3-pyridinylmethyl)-4-pyridinone IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(cyclopentylmethyl)-6-methyl-1-(pyridin-3-ylmethyl)pyridin-4-one Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(cyclopentylmethyl)-6-methyl-1-(3-pyridylmethyl)-4-pyridone Formula: C30H37N4O2+ MolecularWeight: 485.64038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CC2=CN=CC=C2)CC3CCCC3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=O)C(=C(N1CC2=CN=CC=C2)CC3CCCC3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H36N4O2/c1-23-18-28(35)29(30(36)33-16-14-32(15-17-33)21-25-10-3-2-4-11-25)27(19-24-8-5-6-9-24)34(23)22-26-12-7-13-31-20-26/h2-4,7,10-13,18,20,24H,5-6,8-9,14-17,19,21-22H2,1H3/p+1