(3R)-2-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-2-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-2-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-2-[3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-2-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-2-[3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C22H29N5O2+2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CC[NH+]3CC4=CC=CC=C4CC3C(=O)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CC[NH+]3CC4=CC=CC=C4C[C@@H]3C(=O)N

InChI

InChI=1S/C22H27N5O2/c23-22(29)19-15-17-5-1-2-6-18(17)16-27(19)10-8-21(28)26-13-11-25(12-14-26)20-7-3-4-9-24-20/h1-7,9,19H,8,10-16H2,(H2,23,29)/p+2/t19-/m1/s1