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

Systemtic Name: 2-(cyclopentylmethyl)-1-(2-methoxyethyl)-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-(2-methoxyethyl)-6-methyl-pyridin-4-one CAS Name: 2-(cyclopentylmethyl)-1-(2-methoxyethyl)-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-(2-methoxyethyl)-6-methylpyridin-4-one Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(cyclopentylmethyl)-1-(2-methoxyethyl)-6-methyl-4-pyridone Formula: C27H38N3O3+ MolecularWeight: 452.60892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CCOC)CC2CCCC2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)C(=C(N1CCOC)CC2CCCC2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H37N3O3/c1-21-18-25(31)26(24(30(21)16-17-33-2)19-22-8-6-7-9-22)27(32)29-14-12-28(13-15-29)20-23-10-4-3-5-11-23/h3-5,10-11,18,22H,6-9,12-17,19-20H2,1-2H3/p+1