N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(2-methoxyethyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(2-methoxyethyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-(2-methoxyethyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-(2-methoxyethyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-(2-methoxyethyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C22H32N5O4+ MolecularWeight: 430.52058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C[NH+]2CCC3=CC=CC=C3C2)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C[NH+]2CCC3=CC=CC=C3C2)N

InChI

InChI=1S/C22H31N5O4/c1-3-4-10-27-20(23)19(21(29)24-22(27)30)26(12-13-31-2)18(28)15-25-11-9-16-7-5-6-8-17(16)14-25/h5-8H,3-4,9-15,23H2,1-2H3,(H,24,29,30)/p+1