N'-cycloheptyl-N-[(2R)-2-pyridin-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]ethanediamide

Systemtic Name: N'-cycloheptyl-N-[(2R)-2-pyridin-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]ethanediamide Openeye Name: N'-cycloheptyl-N-[(2R)-2-(3-pyridyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]oxamide CAS Name: N'-cycloheptyl-N-[(2R)-2-(3-pyridinyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]oxamide IUPAC Name: N'-cycloheptyl-N-[(2R)-2-pyridin-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]oxamide Traditional Name: N'-cycloheptyl-N-[(2R)-2-(3-pyridyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]oxamide Formula: C25H33N4O2+ MolecularWeight: 421.55512

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C(=O)NCC(C2=CN=CC=C2)[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCCC(CC1)NC(=O)C(=O)NC[C@@H](C2=CN=CC=C2)[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H32N4O2/c30-24(25(31)28-22-11-3-1-2-4-12-22)27-17-23(20-10-7-14-26-16-20)29-15-13-19-8-5-6-9-21(19)18-29/h5-10,14,16,22-23H,1-4,11-13,15,17-18H2,(H,27,30)(H,28,31)/p+1/t23-/m0/s1