N-[[(1R)-2-(2-morpholin-4-ium-4-ylethanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]cyclohexanecarboxamide

Systemtic Name: N-[[(1R)-2-(2-morpholin-4-ium-4-ylethanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]cyclohexanecarboxamide Openeye Name: N-[[(1R)-2-(2-morpholin-4-ium-4-ylacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]cyclohexanecarboxamide CAS Name: N-[[(1R)-2-[2-(4-morpholin-4-iumyl)-1-oxoethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]cyclohexanecarboxamide IUPAC Name: N-[[(1R)-2-(2-morpholin-4-ium-4-ylacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]cyclohexanecarboxamide Traditional Name: N-[[(1R)-2-(2-morpholin-4-ium-4-ylacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]cyclohexanecarboxamide Formula: C23H34N3O3+ MolecularWeight: 400.53436

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NCC2C3=CC=CC=C3CCN2C(=O)C[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)C(=O)NC[C@H]2C3=CC=CC=C3CCN2C(=O)C[NH+]4CCOCC4

InChI

InChI=1S/C23H33N3O3/c27-22(17-25-12-14-29-15-13-25)26-11-10-18-6-4-5-9-20(18)21(26)16-24-23(28)19-7-2-1-3-8-19/h4-6,9,19,21H,1-3,7-8,10-17H2,(H,24,28)/p+1/t21-/m0/s1