N-[[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]methyl]-3-(2-phenylethanoylamino)propanamide

Systemtic Name: N-[[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]methyl]-3-(2-phenylethanoylamino)propanamide Openeye Name: N-[[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]methyl]-3-[(2-phenylacetyl)amino]propanamide CAS Name: N-[[4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]phenyl]methyl]-3-[(1-oxo-2-phenylethyl)amino]propanamide IUPAC Name: N-[[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]methyl]-3-[(2-phenylacetyl)amino]propanamide Traditional Name: N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]benzyl]-3-[(2-phenylacetyl)amino]propionamide Formula: C25H34N3O2+ MolecularWeight: 408.55636

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CCNC(=O)CC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CCNC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O2/c1-20-6-5-15-28(18-20)19-23-11-9-22(10-12-23)17-27-24(29)13-14-26-25(30)16-21-7-3-2-4-8-21/h2-4,7-12,20H,5-6,13-19H2,1H3,(H,26,30)(H,27,29)/p+1/t20-/m0/s1