N-[4-[(3R)-2,5-bis(oxidanylidene)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidin-1-yl]phenyl]ethanamide

Systemtic Name: N-[4-[(3R)-2,5-bis(oxidanylidene)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidin-1-yl]phenyl]ethanamide Openeye Name: N-[4-[(3R)-2,5-dioxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidin-1-yl]phenyl]acetamide CAS Name: N-[4-[(3R)-2,5-dioxo-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-1-pyrrolidinyl]phenyl]acetamide IUPAC Name: N-[4-[(3R)-2,5-dioxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidin-1-yl]phenyl]acetamide Traditional Name: N-[4-[(3R)-2,5-diketo-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidino]phenyl]acetamide Formula: C21H25N5O3+2 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H23N5O3/c1-15(27)23-16-5-7-17(8-6-16)26-20(28)14-18(21(26)29)24-10-12-25(13-11-24)19-4-2-3-9-22-19/h2-9,18H,10-14H2,1H3,(H,23,27)/p+2/t18-/m1/s1