1-[4-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]carbonyl]phenyl]pyrrolidin-2-one

Systemtic Name: 1-[4-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]carbonyl]phenyl]pyrrolidin-2-one Openeye Name: 1-[4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carbonyl]phenyl]pyrrolidin-2-one CAS Name: 1-[4-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-oxomethyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carbonyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[4-(4-p-anisyl-1,4-diazepan-4-ium-1-carbonyl)phenyl]-2-pyrrolidone Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)C3=CC=C(C=C3)N4CCCC4=O

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)C3=CC=C(C=C3)N4CCCC4=O

InChI

InChI=1S/C24H29N3O3/c1-30-22-11-5-19(6-12-22)18-25-13-3-14-26(17-16-25)24(29)20-7-9-21(10-8-20)27-15-2-4-23(27)28/h5-12H,2-4,13-18H2,1H3/p+1