N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide

Systemtic Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide Openeye Name: 3-isopropyl-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]isoxazole-5-carboxamide CAS Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-3-propan-2-yl-5-isoxazolecarboxamide IUPAC Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide Traditional Name: 3-isopropyl-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]isoxazole-5-carboxamide Formula: C22H32N3O2+ MolecularWeight: 370.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=C1)C(=O)N(C)C2CCC[NH+](C2)CCCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NOC(=C1)C(=O)N(C)[C@H]2CCC[NH+](C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H31N3O2/c1-17(2)20-15-21(27-23-20)22(26)24(3)19-12-8-14-25(16-19)13-7-11-18-9-5-4-6-10-18/h4-6,9-10,15,17,19H,7-8,11-14,16H2,1-3H3/p+1/t19-/m0/s1