4-[(3S)-1-(4-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-carbaldehyde

Systemtic Name: 4-[(3S)-1-(4-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[(3S)-1-(4-methoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[(3S)-1-(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-[(3S)-2,5-diketo-1-(4-methoxyphenyl)pyrrolidin-3-yl]piperazin-4-ium-1-carbaldehyde Formula: C16H20N3O4+ MolecularWeight: 318.3477

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C=O

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCN(CC3)C=O

InChI

InChI=1S/C16H19N3O4/c1-23-13-4-2-12(3-5-13)19-15(21)10-14(16(19)22)18-8-6-17(11-20)7-9-18/h2-5,11,14H,6-10H2,1H3/p+1/t14-/m0/s1