[(3S)-1-(2-methoxyquinolin-4-yl)carbonylpiperidin-3-yl]-methyl-phenethyl-azanium

Systemtic Name: [(3S)-1-(2-methoxyquinolin-4-yl)carbonylpiperidin-3-yl]-methyl-phenethyl-azanium Openeye Name: [(3S)-1-(2-methoxyquinoline-4-carbonyl)-3-piperidyl]-methyl-phenethyl-ammonium CAS Name: [(3S)-1-[(2-methoxy-4-quinolinyl)-oxomethyl]-3-piperidinyl]-methyl-phenethylammonium IUPAC Name: [(3S)-1-(2-methoxyquinoline-4-carbonyl)piperidin-3-yl]-methyl-phenethylazanium Traditional Name: [(3S)-1-(2-methoxyquinoline-4-carbonyl)-3-piperidyl]-methyl-phenethyl-ammonium Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCCN(C2)C(=O)C3=CC(=NC4=CC=CC=C43)OC

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)C3=CC(=NC4=CC=CC=C43)OC

InChI

InChI=1S/C25H29N3O2/c1-27(16-14-19-9-4-3-5-10-19)20-11-8-15-28(18-20)25(29)22-17-24(30-2)26-23-13-7-6-12-21(22)23/h3-7,9-10,12-13,17,20H,8,11,14-16,18H2,1-2H3/p+1/t20-/m0/s1