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

Systemtic Name: 3-(4-cyanophenyl)-N-[[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]methyl]propanamide Openeye Name: 3-(4-cyanophenyl)-N-[[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]methyl]propanamide CAS Name: 3-(4-cyanophenyl)-N-[[4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]phenyl]methyl]propanamide IUPAC Name: 3-(4-cyanophenyl)-N-[[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]methyl]propanamide Traditional Name: 3-(4-cyanophenyl)-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]benzyl]propionamide Formula: C24H30N3O+ MolecularWeight: 376.5145

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CCC3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H29N3O/c1-19-3-2-14-27(17-19)18-23-10-8-22(9-11-23)16-26-24(28)13-12-20-4-6-21(15-25)7-5-20/h4-11,19H,2-3,12-14,16-18H2,1H3,(H,26,28)/p+1/t19-/m0/s1