N-[9,10-bis(oxidanylidene)-6-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-4a,9a-dihydroanthracen-2-yl]-3-pyrrolidin-1-ium-1-yl-propanamide

Systemtic Name: N-[9,10-bis(oxidanylidene)-6-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-4a,9a-dihydroanthracen-2-yl]-3-pyrrolidin-1-ium-1-yl-propanamide Openeye Name: N-[9,10-dioxo-6-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-4a,9a-dihydroanthracen-2-yl]-3-pyrrolidin-1-ium-1-yl-propanamide CAS Name: N-[9,10-dioxo-6-[[1-oxo-3-(1-pyrrolidin-1-iumyl)propyl]amino]-4a,9a-dihydroanthracen-2-yl]-3-(1-pyrrolidin-1-iumyl)propanamide IUPAC Name: N-[9,10-dioxo-6-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-4a,9a-dihydroanthracen-2-yl]-3-pyrrolidin-1-ium-1-ylpropanamide Traditional Name: N-[9,10-diketo-6-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-4a,9a-dihydroanthracen-2-yl]-3-pyrrolidin-1-ium-1-yl-propionamide Formula: C28H36N4O4+2 MolecularWeight: 492.60984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCC(=O)NC2=CC3C(C=C2)C(=O)C4=C(C3=O)C=CC(=C4)NC(=O)CC[NH+]5CCCC5

Isomeric SMILES

C1CC[NH+](C1)CCC(=O)NC2=CC3C(C=C2)C(=O)C4=C(C3=O)C=CC(=C4)NC(=O)CC[NH+]5CCCC5

InChI

InChI=1S/C28H34N4O4/c33-25(9-15-31-11-1-2-12-31)29-19-5-7-21-23(17-19)27(35)22-8-6-20(18-24(22)28(21)36)30-26(34)10-16-32-13-3-4-14-32/h5-8,17-18,21,23H,1-4,9-16H2,(H,29,33)(H,30,34)/p+2