2-(4-methylpiperidin-1-ium-1-yl)-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]ethanamide

Systemtic Name: 2-(4-methylpiperidin-1-ium-1-yl)-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]ethanamide Openeye Name: N-[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide CAS Name: 2-(4-methyl-1-piperidin-1-iumyl)-N-[(1S,2R)-1-(4-morpholin-4-iumyl)-1-phenylpropan-2-yl]acetamide IUPAC Name: 2-(4-methylpiperidin-1-ium-1-yl)-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide Traditional Name: N-[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide Formula: C21H35N3O2+2 MolecularWeight: 361.5215

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)NC(C)C(C2=CC=CC=C2)[NH+]3CCOCC3

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)N[C@H](C)[C@H](C2=CC=CC=C2)[NH+]3CCOCC3

InChI

InChI=1S/C21H33N3O2/c1-17-8-10-23(11-9-17)16-20(25)22-18(2)21(19-6-4-3-5-7-19)24-12-14-26-15-13-24/h3-7,17-18,21H,8-16H2,1-2H3,(H,22,25)/p+2/t18-,21-/m1/s1