N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-2-pyridin-3-yl-ethanamide

Systemtic Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-2-pyridin-3-yl-ethanamide Openeye Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-2-(3-pyridyl)acetamide CAS Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-2-(3-pyridinyl)acetamide IUPAC Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-2-pyridin-3-ylacetamide Traditional Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-2-(3-pyridyl)acetamide Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)CC3=CN=CC=C3

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)CC3=CN=CC=C3

InChI

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