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

Systemtic Name: 1-[3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]pyrrolidin-2-one Openeye Name: 1-[3-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]pyrrolidin-2-one CAS Name: 1-[3-[oxo-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]methyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[3-[4-(4-isopropylbenzyl)piperazin-4-ium-1-carbonyl]phenyl]-2-pyrrolidone Formula: C25H32N3O2+ MolecularWeight: 406.54048

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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)N4CCCC4=O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)N4CCCC4=O

InChI

InChI=1S/C25H31N3O2/c1-19(2)21-10-8-20(9-11-21)18-26-13-15-27(16-14-26)25(30)22-5-3-6-23(17-22)28-12-4-7-24(28)29/h3,5-6,8-11,17,19H,4,7,12-16,18H2,1-2H3/p+1