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

Systemtic Name: N-(3-imidazol-1-ylpropyl)-1-[(3-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(3-imidazol-1-ylpropyl)-1-(m-tolylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-1-[(3-methylphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-1-[(3-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(3-imidazol-1-ylpropyl)-1-(3-methylbenzyl)piperidin-1-ium-4-carboxamide Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)NCCCN3C=CN=C3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C20H28N4O/c1-17-4-2-5-18(14-17)15-23-11-6-19(7-12-23)20(25)22-8-3-10-24-13-9-21-16-24/h2,4-5,9,13-14,16,19H,3,6-8,10-12,15H2,1H3,(H,22,25)/p+1