1-[2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]pyrrolidin-2-one

Systemtic Name: 1-[2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]pyrrolidin-2-one Openeye Name: 1-[2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]pyrrolidin-2-one CAS Name: 1-[2-[[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[2-[4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium-1-carbonyl]phenyl]-2-pyrrolidone Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3N4CCCC4=O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3N4CCCC4=O

InChI

InChI=1S/C24H29N3O3/c1-18-9-10-22(30-2)19(16-18)17-25-12-14-26(15-13-25)24(29)20-6-3-4-7-21(20)27-11-5-8-23(27)28/h3-4,6-7,9-10,16H,5,8,11-15,17H2,1-2H3/p+1