1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-N-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-N-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-(isoxazol-3-ylmethyl)-1-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: N-(3-isoxazolylmethyl)-1-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-N-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-(isoxazol-3-ylmethyl)-1-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Formula: C23H34N4O2+2 MolecularWeight: 398.54166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCC4=NOC=C4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCC4=NOC=C4

InChI

InChI=1S/C23H32N4O2/c1-18-4-2-3-5-20(18)17-26-11-8-22(9-12-26)27-13-6-19(7-14-27)23(28)24-16-21-10-15-29-25-21/h2-5,10,15,19,22H,6-9,11-14,16-17H2,1H3,(H,24,28)/p+2