[1-(7-phenylpteridin-4-yl)piperidin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [1-(7-phenylpteridin-4-yl)piperidin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [1-(7-phenylpteridin-4-yl)-4-piperidyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [1-(7-phenyl-4-pteridinyl)-4-piperidinyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [1-(7-phenylpteridin-4-yl)piperidin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [1-(7-phenylpteridin-4-yl)-4-piperidyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C27H29N8O+ MolecularWeight: 481.57216

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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)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=NC=NC5=NC(=CN=C54)C6=CC=CC=C6

InChI

InChI=1S/C27H28N8O/c36-27(35-16-14-33(15-17-35)23-8-4-5-11-28-23)21-9-12-34(13-10-21)26-24-25(30-19-31-26)32-22(18-29-24)20-6-2-1-3-7-20/h1-8,11,18-19,21H,9-10,12-17H2/p+1