1-(phenylmethyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1,8-naphthyridin-2-one

Systemtic Name: 1-(phenylmethyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1,8-naphthyridin-2-one Openeye Name: 1-benzyl-3-(4-benzylpiperazin-4-ium-1-carbonyl)-1,8-naphthyridin-2-one CAS Name: 3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1-(phenylmethyl)-1,8-naphthyridin-2-one IUPAC Name: 1-benzyl-3-(4-benzylpiperazin-4-ium-1-carbonyl)-1,8-naphthyridin-2-one Traditional Name: 1-benzyl-3-(4-benzylpiperazin-4-ium-1-carbonyl)-1,8-naphthyridin-2-one Formula: C27H27N4O2+ MolecularWeight: 439.52888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=C(N=CC=C4)N(C3=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=C(N=CC=C4)N(C3=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O2/c32-26(30-16-14-29(15-17-30)19-21-8-3-1-4-9-21)24-18-23-12-7-13-28-25(23)31(27(24)33)20-22-10-5-2-6-11-22/h1-13,18H,14-17,19-20H2/p+1