1-[[3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]methyl]pyrrolidin-2-one

Systemtic Name: 1-[[3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]methyl]pyrrolidin-2-one Openeye Name: 1-[[3-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]methyl]pyrrolidin-2-one CAS Name: 1-[[3-[oxo-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]methyl]phenyl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]methyl]pyrrolidin-2-one Traditional Name: 1-[3-[4-(4-isopropylbenzyl)piperazin-4-ium-1-carbonyl]benzyl]-2-pyrrolidone Formula: C26H34N3O2+ MolecularWeight: 420.56706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)CN4CCCC4=O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)CN4CCCC4=O

InChI

InChI=1S/C26H33N3O2/c1-20(2)23-10-8-21(9-11-23)18-27-13-15-28(16-14-27)26(31)24-6-3-5-22(17-24)19-29-12-4-7-25(29)30/h3,5-6,8-11,17,20H,4,7,12-16,18-19H2,1-2H3/p+1