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

Systemtic Name: 4-[2,5-bis(oxidanylidene)-1-(4-propoxyphenyl)pyrrolidin-3-yl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[2,5-dioxo-1-(4-propoxyphenyl)-3-pyrrolidinyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-[2,5-diketo-1-(4-propoxyphenyl)pyrrolidin-3-yl]piperazin-4-ium-1-carbaldehyde Formula: C18H24N3O4+ MolecularWeight: 346.40086

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C=O

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C=O

InChI

InChI=1S/C18H23N3O4/c1-2-11-25-15-5-3-14(4-6-15)21-17(23)12-16(18(21)24)20-9-7-19(13-22)8-10-20/h3-6,13,16H,2,7-12H2,1H3/p+1