2,5-dimethyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]furan-3-carboxamide

Systemtic Name: 2,5-dimethyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]furan-3-carboxamide Openeye Name: 2,5-dimethyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]furan-3-carboxamide CAS Name: 2,5-dimethyl-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-3-furancarboxamide IUPAC Name: 2,5-dimethyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]furan-3-carboxamide Traditional Name: 2,5-dimethyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-furamide Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)NC2CCC[NH+](C2)CCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)N[C@H]2CCC[NH+](C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O2/c1-16-14-20(17(2)25-16)21(24)22-19-11-7-13-23(15-19)12-6-10-18-8-4-3-5-9-18/h3-5,8-9,14,19H,6-7,10-13,15H2,1-2H3,(H,22,24)/p+1/t19-/m0/s1