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

Systemtic Name: 1-oxidanidyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]pyridin-1-ium-4-carboxamide Openeye Name: 1-oxido-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]pyridin-1-ium-4-carboxamide CAS Name: 1-oxido-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-4-pyridin-1-iumcarboxamide IUPAC Name: 1-oxido-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]pyridin-1-ium-4-carboxamide Traditional Name: 1-oxido-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]pyridin-1-ium-4-carboxamide Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2/c24-20(18-10-14-23(25)15-11-18)21-19-9-5-13-22(16-19)12-4-8-17-6-2-1-3-7-17/h1-3,6-7,10-11,14-15,19H,4-5,8-9,12-13,16H2,(H,21,24)/p+1/t19-/m0/s1