[4-(phenylmethyl)piperazin-4-ium-1-yl]-[2-(4-propan-2-yloxyphenyl)quinolin-4-yl]methanone

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-[2-(4-propan-2-yloxyphenyl)quinolin-4-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(4-isopropoxyphenyl)-4-quinolyl]methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-[2-(4-propan-2-yloxyphenyl)-4-quinolinyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(4-propan-2-yloxyphenyl)quinolin-4-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(4-isopropoxyphenyl)-4-quinolyl]methanone Formula: C30H32N3O2+ MolecularWeight: 466.59398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H31N3O2/c1-22(2)35-25-14-12-24(13-15-25)29-20-27(26-10-6-7-11-28(26)31-29)30(34)33-18-16-32(17-19-33)21-23-8-4-3-5-9-23/h3-15,20,22H,16-19,21H2,1-2H3/p+1