N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-yl-ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-yl-ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-[(1R)-2-morpholino-1-(p-tolyl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-[(1R)-1-(4-methylphenyl)-2-(4-morpholinyl)ethyl]-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-[(1R)-2-morpholino-1-(p-tolyl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C26H36N3O2+ MolecularWeight: 422.58294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CN2CCOCC2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CN2CCOCC2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C26H35N3O2/c1-21-5-9-23(10-6-21)25(20-29-15-17-31-18-16-29)27-26(30)24-11-7-22(8-12-24)19-28-13-3-2-4-14-28/h5-12,25H,2-4,13-20H2,1H3,(H,27,30)/p+1/t25-/m0/s1