N-(4-methoxyphenyl)-3-[(3S,4R)-1-(2-methylpropyl)-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-(4-methoxyphenyl)-3-[(3S,4R)-1-(2-methylpropyl)-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]propanamide Openeye Name: 3-[(3S,4R)-1-isobutyl-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]-N-(4-methoxyphenyl)propanamide CAS Name: N-(4-methoxyphenyl)-3-[(3S,4R)-1-(2-methylpropyl)-4-(4-morpholin-4-iumyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: N-(4-methoxyphenyl)-3-[(3S,4R)-1-(2-methylpropyl)-4-morpholin-4-ium-4-ylpiperidin-1-ium-3-yl]propanamide Traditional Name: 3-[(3S,4R)-1-isobutyl-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]-N-(4-methoxyphenyl)propionamide Formula: C23H39N3O3+2 MolecularWeight: 405.57406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCC(C(C1)CCC(=O)NC2=CC=C(C=C2)OC)[NH+]3CCOCC3

Isomeric SMILES

CC(C)C[NH+]1CC[C@H]([C@H](C1)CCC(=O)NC2=CC=C(C=C2)OC)[NH+]3CCOCC3

InChI

InChI=1S/C23H37N3O3/c1-18(2)16-25-11-10-22(26-12-14-29-15-13-26)19(17-25)4-9-23(27)24-20-5-7-21(28-3)8-6-20/h5-8,18-19,22H,4,9-17H2,1-3H3,(H,24,27)/p+2/t19-,22+/m0/s1