2-chloranyl-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]pyridine-4-carboxamide

Systemtic Name: 2-chloranyl-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]pyridine-4-carboxamide Openeye Name: 2-chloro-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]pyridine-4-carboxamide CAS Name: 2-chloro-N-methyl-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-4-pyridinecarboxamide IUPAC Name: 2-chloro-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]pyridine-4-carboxamide Traditional Name: 2-chloro-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]isonicotinamide Formula: C21H27ClN3O+ MolecularWeight: 372.91158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O/c1-24(21(26)18-11-12-23-20(22)15-18)19-10-6-14-25(16-19)13-5-9-17-7-3-2-4-8-17/h2-4,7-8,11-12,15,19H,5-6,9-10,13-14,16H2,1H3/p+1/t19-/m0/s1