(4-piperazin-4-ium-1-ylphenyl)-pyridin-3-yl-methanone

Systemtic Name: (4-piperazin-4-ium-1-ylphenyl)-pyridin-3-yl-methanone Openeye Name: (4-piperazin-4-ium-1-ylphenyl)-(3-pyridyl)methanone CAS Name: [4-(1-piperazin-4-iumyl)phenyl]-(3-pyridinyl)methanone IUPAC Name: (4-piperazin-4-ium-1-ylphenyl)-pyridin-3-ylmethanone Traditional Name: (4-piperazin-4-ium-1-ylphenyl)-(3-pyridyl)methanone Formula: C16H18N3O+ MolecularWeight: 268.33362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC=C(C=C2)C(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC=C(C=C2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C16H17N3O/c20-16(14-2-1-7-18-12-14)13-3-5-15(6-4-13)19-10-8-17-9-11-19/h1-7,12,17H,8-11H2/p+1