3-methyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide

Systemtic Name: 3-methyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide Openeye Name: 5-isopropyl-3-methyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]isoxazole-4-carboxamide CAS Name: 3-methyl-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-5-propan-2-yl-4-isoxazolecarboxamide IUPAC Name: 3-methyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide Traditional Name: 5-isopropyl-3-methyl-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]isoxazole-4-carboxamide Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)C(C)C

Isomeric SMILES

CC1=NOC(=C1C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)C(C)C

InChI

InChI=1S/C21H29N3O2/c1-15(2)20-19(16(3)23-26-20)21(25)22-13-17-7-9-18(10-8-17)14-24-11-5-4-6-12-24/h7-10,15H,4-6,11-14H2,1-3H3,(H,22,25)/p+1