1-[(3-methylphenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3-methylphenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-1-(m-tolylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-methylphenyl)methyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-methylphenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-methylbenzyl)-N-(2-morpholin-4-ium-4-ylethyl)piperidin-1-ium-4-carboxamide Formula: C20H33N3O2+2 MolecularWeight: 347.49492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)NCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)NCC[NH+]3CCOCC3

InChI

InChI=1S/C20H31N3O2/c1-17-3-2-4-18(15-17)16-23-8-5-19(6-9-23)20(24)21-7-10-22-11-13-25-14-12-22/h2-4,15,19H,5-14,16H2,1H3,(H,21,24)/p+2