[4-(diphenylmethyl)piperazin-4-ium-1-yl]-quinolin-8-yl-methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-quinolin-8-yl-methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(8-quinolyl)methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-(8-quinolinyl)methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-quinolin-8-ylmethanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(8-quinolyl)methanone Formula: C27H26N3O+ MolecularWeight: 408.51484

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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=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C27H25N3O/c31-27(24-15-7-13-21-14-8-16-28-25(21)24)30-19-17-29(18-20-30)26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-16,26H,17-20H2/p+1