(2S)-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-1-methyl-piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-1-methyl-piperidin-1-ium-2-carboxamide Openeye Name: (2S)-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-1-methyl-piperidin-1-ium-2-carboxamide CAS Name: (2S)-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridin-1-iumyl]methyl]-1-methyl-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-1-methylpiperidin-1-ium-2-carboxamide Traditional Name: (2S)-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-1-methyl-piperidin-1-ium-2-carboxamide Formula: C22H30N4O+2 MolecularWeight: 366.4998

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1C(=O)NCC2=C([NH+]=CC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C[NH+]1CCCC[C@H]1C(=O)NCC2=C([NH+]=CC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H28N4O/c1-25-13-5-4-10-20(25)22(27)24-15-18-9-6-12-23-21(18)26-14-11-17-7-2-3-8-19(17)16-26/h2-3,6-9,12,20H,4-5,10-11,13-16H2,1H3,(H,24,27)/p+2/t20-/m0/s1