N-[9,10-bis(oxidanylidene)-6-(3-piperidin-1-ium-1-ylpropanoylamino)anthracen-2-yl]-3-piperidin-1-ium-1-yl-propanamide

Systemtic Name: N-[9,10-bis(oxidanylidene)-6-(3-piperidin-1-ium-1-ylpropanoylamino)anthracen-2-yl]-3-piperidin-1-ium-1-yl-propanamide Openeye Name: N-[9,10-dioxo-6-(3-piperidin-1-ium-1-ylpropanoylamino)-2-anthryl]-3-piperidin-1-ium-1-yl-propanamide CAS Name: N-[9,10-dioxo-6-[[1-oxo-3-(1-piperidin-1-iumyl)propyl]amino]-2-anthracenyl]-3-(1-piperidin-1-iumyl)propanamide IUPAC Name: N-[9,10-dioxo-6-(3-piperidin-1-ium-1-ylpropanoylamino)anthracen-2-yl]-3-piperidin-1-ium-1-ylpropanamide Traditional Name: N-[9,10-diketo-6-(3-piperidin-1-ium-1-ylpropanoylamino)-2-anthryl]-3-piperidin-1-ium-1-yl-propionamide Formula: C30H38N4O4+2 MolecularWeight: 518.64712

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC(=O)NC2=CC3=C(C=C2)C(=O)C4=C(C3=O)C=CC(=C4)NC(=O)CC[NH+]5CCCCC5

Isomeric SMILES

C1CC[NH+](CC1)CCC(=O)NC2=CC3=C(C=C2)C(=O)C4=C(C3=O)C=CC(=C4)NC(=O)CC[NH+]5CCCCC5

InChI

InChI=1S/C30H36N4O4/c35-27(11-17-33-13-3-1-4-14-33)31-21-7-9-23-25(19-21)29(37)24-10-8-22(20-26(24)30(23)38)32-28(36)12-18-34-15-5-2-6-16-34/h7-10,19-20H,1-6,11-18H2,(H,31,35)(H,32,36)/p+2