3-[(2S)-1,3-bis(phenylmethyl)imidazolidin-1-ium-2-yl]-2-chloranyl-7-methoxy-quinoline

Systemtic Name: 3-[(2S)-1,3-bis(phenylmethyl)imidazolidin-1-ium-2-yl]-2-chloranyl-7-methoxy-quinoline Openeye Name: 2-chloro-3-[(2S)-1,3-dibenzylimidazolidin-1-ium-2-yl]-7-methoxy-quinoline CAS Name: 3-[(2S)-1,3-bis(phenylmethyl)-2-imidazolidin-1-iumyl]-2-chloro-7-methoxyquinoline IUPAC Name: 2-chloro-3-[(2S)-1,3-dibenzylimidazolidin-1-ium-2-yl]-7-methoxyquinoline Traditional Name: 2-chloro-3-[(2S)-1,3-dibenzylimidazolidin-1-ium-2-yl]-7-methoxy-quinoline Formula: C27H27ClN3O+ MolecularWeight: 444.97578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)C3[NH+](CCN3CC4=CC=CC=C4)CC5=CC=CC=C5)Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)[C@@H]3[NH+](CCN3CC4=CC=CC=C4)CC5=CC=CC=C5)Cl

InChI

InChI=1S/C27H26ClN3O/c1-32-23-13-12-22-16-24(26(28)29-25(22)17-23)27-30(18-20-8-4-2-5-9-20)14-15-31(27)19-21-10-6-3-7-11-21/h2-13,16-17,27H,14-15,18-19H2,1H3/p+1