(4-phenylphenyl)-[4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-phenylphenyl)-[4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-phenylphenyl)-[4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-phenylphenyl)-[4-(3-pyridin-1-iumylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-phenylphenyl)-[4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-phenylphenyl)-[4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium-1-yl]methanone Formula: C23H25N3O+2 MolecularWeight: 359.4641

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C[NH+]=CC=C2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C[NH+]=CC=C2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O/c27-23(22-10-8-21(9-11-22)20-6-2-1-3-7-20)26-15-13-25(14-16-26)18-19-5-4-12-24-17-19/h1-12,17H,13-16,18H2/p+2