(1-pteridin-4-ylpiperidin-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (1-pteridin-4-ylpiperidin-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (1-pteridin-4-yl-4-piperidyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [1-(4-pteridinyl)-4-piperidinyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (1-pteridin-4-ylpiperidin-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (1-pteridin-4-yl-4-piperidyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C21H25N8O+ MolecularWeight: 405.4762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=NC=NC5=NC=CN=C54

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=NC=NC5=NC=CN=C54

InChI

InChI=1S/C21H24N8O/c30-21(29-13-11-27(12-14-29)17-3-1-2-6-22-17)16-4-9-28(10-5-16)20-18-19(25-15-26-20)24-8-7-23-18/h1-3,6-8,15-16H,4-5,9-14H2/p+1