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

Systemtic Name: 1-[(3-methylphenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)piperidin-1-ium-4-carboxamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-1-(m-tolylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-methylphenyl)methyl]-N-[3-(4-morpholin-4-iumyl)propyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-methylphenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-methylbenzyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperidin-1-ium-4-carboxamide Formula: C21H35N3O2+2 MolecularWeight: 361.5215

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O2/c1-18-4-2-5-19(16-18)17-24-10-6-20(7-11-24)21(25)22-8-3-9-23-12-14-26-15-13-23/h2,4-5,16,20H,3,6-15,17H2,1H3,(H,22,25)/p+2