2-ethyl-4-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-1,3-oxazole-5-carboxamide

Systemtic Name: 2-ethyl-4-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-1,3-oxazole-5-carboxamide Openeye Name: 2-ethyl-4-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]oxazole-5-carboxamide CAS Name: 2-ethyl-4-methyl-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-5-oxazolecarboxamide IUPAC Name: 2-ethyl-4-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-1,3-oxazole-5-carboxamide Traditional Name: 2-ethyl-4-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]oxazole-5-carboxamide Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(O1)C(=O)NC2CCC[NH+](C2)CCCC3=CC=CC=C3)C

Isomeric SMILES

CCC1=NC(=C(O1)C(=O)N[C@H]2CCC[NH+](C2)CCCC3=CC=CC=C3)C

InChI

InChI=1S/C21H29N3O2/c1-3-19-22-16(2)20(26-19)21(25)23-18-12-8-14-24(15-18)13-7-11-17-9-5-4-6-10-17/h4-6,9-10,18H,3,7-8,11-15H2,1-2H3,(H,23,25)/p+1/t18-/m0/s1