N1-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]piperidine-1,4-dicarboxamide

Systemtic Name: N1-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]piperidine-1,4-dicarboxamide Openeye Name: N1-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]piperidine-1,4-dicarboxamide CAS Name: N1-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]piperidine-1,4-dicarboxamide IUPAC Name: 1-N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]piperidine-1,4-dicarboxamide Traditional Name: N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]piperidine-1,4-dicarboxamide Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)N1CCC(CC1)C(=O)N)[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)[C@H](CNC(=O)N1CCC(CC1)C(=O)N)[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H32N4O2/c1-15(2)19(25-12-7-16-5-3-4-6-18(16)14-25)13-23-21(27)24-10-8-17(9-11-24)20(22)26/h3-6,15,17,19H,7-14H2,1-2H3,(H2,22,26)(H,23,27)/p+1/t19-/m0/s1