(4-pyridin-1-ium-4-ylpiperazin-1-yl)-(9H-xanthen-9-yl)methanone

Systemtic Name: (4-pyridin-1-ium-4-ylpiperazin-1-yl)-(9H-xanthen-9-yl)methanone Openeye Name: (4-pyridin-1-ium-4-ylpiperazin-1-yl)-(9H-xanthen-9-yl)methanone CAS Name: [4-(4-pyridin-1-iumyl)-1-piperazinyl]-(9H-xanthen-9-yl)methanone IUPAC Name: (4-pyridin-1-ium-4-ylpiperazin-1-yl)-(9H-xanthen-9-yl)methanone Traditional Name: (4-pyridin-1-ium-4-ylpiperazino)-(9H-xanthen-9-yl)methanone Formula: C23H22N3O2+ MolecularWeight: 372.43968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C23H21N3O2/c27-23(26-15-13-25(14-16-26)17-9-11-24-12-10-17)22-18-5-1-3-7-20(18)28-21-8-4-2-6-19(21)22/h1-12,22H,13-16H2/p+1