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

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-pyridin-3-yl-methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3-pyridyl)methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-(3-pyridinyl)methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-pyridin-3-ylmethanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3-pyridyl)methanone Formula: C23H24N3O+ MolecularWeight: 358.45616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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