N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-pyridin-3-yl-propanamide

Systemtic Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-pyridin-3-yl-propanamide Openeye Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-(3-pyridyl)propanamide CAS Name: N-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-3-(3-pyridinyl)propanamide IUPAC Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-pyridin-3-ylpropanamide Traditional Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-(3-pyridyl)propionamide Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)CCC3=CN=CC=C3

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)CCC3=CN=CC=C3

InChI

InChI=1S/C22H29N3O/c1-24(22(26)12-11-20-9-5-14-23-17-20)21-10-6-15-25(18-21)16-13-19-7-3-2-4-8-19/h2-5,7-9,14,17,21H,6,10-13,15-16,18H2,1H3/p+1/t21-/m0/s1