(8-cyclopentyl-3-propyl-2,7-dihydropurin-6-yl)-(1-oxidanylbutan-2-yl)-oxidanylidene-azanium

Systemtic Name: (8-cyclopentyl-3-propyl-2,7-dihydropurin-6-yl)-(1-oxidanylbutan-2-yl)-oxidanylidene-azanium Openeye Name: (8-cyclopentyl-3-propyl-2,7-dihydropurin-6-yl)-[1-(hydroxymethyl)propyl]-oxo-ammonium CAS Name: (8-cyclopentyl-3-propyl-2,7-dihydropurin-6-yl)-(1-hydroxybutan-2-yl)-oxoammonium IUPAC Name: (8-cyclopentyl-3-propyl-2,7-dihydropurin-6-yl)-(1-hydroxybutan-2-yl)-oxoazanium Traditional Name: (8-cyclopentyl-3-propyl-2,7-dihydropurin-6-yl)-keto-(1-methylolpropyl)ammonium Formula: C17H28N5O2+ MolecularWeight: 334.43652

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CN=C(C2=C1N=C(N2)C3CCCC3)[N+](=O)C(CC)CO

Isomeric SMILES

CCCN1CN=C(C2=C1N=C(N2)C3CCCC3)[N+](=O)C(CC)CO

InChI

InChI=1S/C17H28N5O2/c1-3-9-21-11-18-16(22(24)13(4-2)10-23)14-17(21)20-15(19-14)12-7-5-6-8-12/h12-13,23H,3-11H2,1-2H3,(H,19,20)/q+1