[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-quinolin-2-yl-methanone

Systemtic Name: [4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-quinolin-2-yl-methanone Openeye Name: [4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-(2-quinolyl)methanone CAS Name: [4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-(2-quinolinyl)methanone IUPAC Name: [4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-quinolin-2-ylmethanone Traditional Name: [4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-(2-quinolyl)methanone Formula: C22H24N3O2+ MolecularWeight: 362.44486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H23N3O2/c26-22(21-11-10-18-6-4-5-9-20(18)23-21)25-14-12-24(13-15-25)16-17-27-19-7-2-1-3-8-19/h1-11H,12-17H2/p+1