2-[4-azanyl-5,6-dimethyl-3-(2-morpholin-4-ium-4-ylethyl)pyrrolo[2,3-d]pyrimidin-3-ium-7-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[4-azanyl-5,6-dimethyl-3-(2-morpholin-4-ium-4-ylethyl)pyrrolo[2,3-d]pyrimidin-3-ium-7-yl]ethyl-dimethyl-azanium Openeye Name: 2-[4-amino-5,6-dimethyl-3-(2-morpholin-4-ium-4-ylethyl)pyrrolo[2,3-d]pyrimidin-3-ium-7-yl]ethyl-dimethyl-ammonium CAS Name: 2-[4-amino-5,6-dimethyl-3-[2-(4-morpholin-4-iumyl)ethyl]-7-pyrrolo[2,3-d]pyrimidin-3-iumyl]ethyl-dimethylammonium IUPAC Name: 2-[4-amino-5,6-dimethyl-3-(2-morpholin-4-ium-4-ylethyl)pyrrolo[2,3-d]pyrimidin-3-ium-7-yl]ethyl-dimethylazanium Traditional Name: 2-[4-amino-5,6-dimethyl-3-(2-morpholin-4-ium-4-ylethyl)pyrrolo[2,3-d]pyrimidin-3-ium-7-yl]ethyl-dimethyl-ammonium Formula: C18H33N6O+3 MolecularWeight: 349.49422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=[N+](C=N2)CC[NH+]3CCOCC3)N)CC[NH+](C)C)C

Isomeric SMILES

CC1=C(N(C2=C1C(=[N+](C=N2)CC[NH+]3CCOCC3)N)CC[NH+](C)C)C

InChI

InChI=1S/C18H30N6O/c1-14-15(2)24(8-5-21(3)4)18-16(14)17(19)23(13-20-18)7-6-22-9-11-25-12-10-22/h13,19H,5-12H2,1-4H3/p+3