6-[3,6-dimethyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]hexyl-[(1R)-1-phenylethyl]azanium

Systemtic Name: 6-[3,6-dimethyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]hexyl-[(1R)-1-phenylethyl]azanium Openeye Name: 6-(3,6-dimethyl-2,4-dioxo-pyrimidin-1-yl)hexyl-[(1R)-1-phenylethyl]ammonium CAS Name: 6-(3,6-dimethyl-2,4-dioxo-1-pyrimidinyl)hexyl-[(1R)-1-phenylethyl]ammonium IUPAC Name: 6-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)hexyl-[(1R)-1-phenylethyl]azanium Traditional Name: 6-(2,4-diketo-3,6-dimethyl-pyrimidin-1-yl)hexyl-[(1R)-1-phenylethyl]ammonium Formula: C20H30N3O2+ MolecularWeight: 344.4711

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=O)N1CCCCCC[NH2+]C(C)C2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=O)N(C(=O)N1CCCCCC[NH2+][C@H](C)C2=CC=CC=C2)C

InChI

InChI=1S/C20H29N3O2/c1-16-15-19(24)22(3)20(25)23(16)14-10-5-4-9-13-21-17(2)18-11-7-6-8-12-18/h6-8,11-12,15,17,21H,4-5,9-10,13-14H2,1-3H3/p+1/t17-/m1/s1