N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-pyridin-4-yl-propanamide

Systemtic Name: N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-pyridin-4-yl-propanamide Openeye Name: N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-(4-pyridyl)propanamide CAS Name: N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-3-pyridin-4-ylpropanamide IUPAC Name: N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-pyridin-4-ylpropanamide Traditional Name: N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-(4-pyridyl)propionamide Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCC2=CC=CC=C2)NC(=O)CCC3=CC=NC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCC2=CC=CC=C2)NC(=O)CCC3=CC=NC=C3

InChI

InChI=1S/C22H29N3O/c26-22(11-10-20-12-14-23-15-13-20)24-21-9-5-17-25(18-21)16-4-8-19-6-2-1-3-7-19/h1-3,6-7,12-15,21H,4-5,8-11,16-18H2,(H,24,26)/p+1/t21-/m0/s1