[(1R)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-propan-2-yl-azanium

Systemtic Name: [(1R)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-propan-2-yl-azanium Openeye Name: [(1R)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-isopropyl-ammonium CAS Name: [(1R)-1-[2-(1-azocanyl)-4-methyl-5-pyrimidinyl]ethyl]-propan-2-ylammonium IUPAC Name: [(1R)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-propan-2-ylazanium Traditional Name: [(1R)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-isopropyl-ammonium Formula: C17H31N4+ MolecularWeight: 291.45484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(C)[NH2+]C(C)C)N2CCCCCCC2

Isomeric SMILES

CC1=NC(=NC=C1[C@@H](C)[NH2+]C(C)C)N2CCCCCCC2

InChI

InChI=1S/C17H30N4/c1-13(2)19-14(3)16-12-18-17(20-15(16)4)21-10-8-6-5-7-9-11-21/h12-14,19H,5-11H2,1-4H3/p+1/t14-/m1/s1