N-(4-methoxy-2-methyl-phenyl)-3-[(3R)-1-quinolin-1-ium-2-ylpiperidin-3-yl]propanamide

Systemtic Name: N-(4-methoxy-2-methyl-phenyl)-3-[(3R)-1-quinolin-1-ium-2-ylpiperidin-3-yl]propanamide Openeye Name: N-(4-methoxy-2-methyl-phenyl)-3-[(3R)-1-quinolin-1-ium-2-yl-3-piperidyl]propanamide CAS Name: N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-(2-quinolin-1-iumyl)-3-piperidinyl]propanamide IUPAC Name: N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-quinolin-1-ium-2-ylpiperidin-3-yl]propanamide Traditional Name: N-(4-methoxy-2-methyl-phenyl)-3-[(3R)-1-quinolin-1-ium-2-yl-3-piperidyl]propionamide Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)NC(=O)CCC2CCCN(C2)C3=[NH+]C4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(C=CC(=C1)OC)NC(=O)CC[C@H]2CCCN(C2)C3=[NH+]C4=CC=CC=C4C=C3

InChI

InChI=1S/C25H29N3O2/c1-18-16-21(30-2)11-12-22(18)27-25(29)14-9-19-6-5-15-28(17-19)24-13-10-20-7-3-4-8-23(20)26-24/h3-4,7-8,10-13,16,19H,5-6,9,14-15,17H2,1-2H3,(H,27,29)/p+1/t19-/m1/s1