3-[[1-(2-chloranyl-7H-purin-6-yl)piperidin-4-yl]carbonylamino]propyl-diethyl-azanium

Systemtic Name: 3-[[1-(2-chloranyl-7H-purin-6-yl)piperidin-4-yl]carbonylamino]propyl-diethyl-azanium Openeye Name: 3-[[1-(2-chloro-7H-purin-6-yl)piperidine-4-carbonyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[[1-(2-chloro-7H-purin-6-yl)-4-piperidinyl]-oxomethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[1-(2-chloro-7H-purin-6-yl)piperidine-4-carbonyl]amino]propyl-diethylazanium Traditional Name: 3-[[1-(2-chloro-7H-purin-6-yl)isonipecotoyl]amino]propyl-diethyl-ammonium Formula: C18H29ClN7O+ MolecularWeight: 394.92216

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)C1CCN(CC1)C2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)C1CCN(CC1)C2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C18H28ClN7O/c1-3-25(4-2)9-5-8-20-17(27)13-6-10-26(11-7-13)16-14-15(22-12-21-14)23-18(19)24-16/h12-13H,3-11H2,1-2H3,(H,20,27)(H,21,22,23,24)/p+1