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

Systemtic Name: [(1R)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-(1-ethylpiperidin-1-ium-4-yl)azanium Openeye Name: [(1R)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-(1-ethylpiperidin-1-ium-4-yl)ammonium CAS Name: [(1R)-1-[2-(1-azocanyl)-4-methyl-5-pyrimidinyl]ethyl]-(1-ethyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [(1R)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-(1-ethylpiperidin-1-ium-4-yl)azanium Traditional Name: [(1R)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-(1-ethylpiperidin-1-ium-4-yl)ammonium Formula: C21H39N5+2 MolecularWeight: 361.56786

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)[NH2+]C(C)C2=CN=C(N=C2C)N3CCCCCCC3

Isomeric SMILES

CC[NH+]1CCC(CC1)[NH2+][C@H](C)C2=CN=C(N=C2C)N3CCCCCCC3

InChI

InChI=1S/C21H37N5/c1-4-25-14-10-19(11-15-25)23-17(2)20-16-22-21(24-18(20)3)26-12-8-6-5-7-9-13-26/h16-17,19,23H,4-15H2,1-3H3/p+2/t17-/m1/s1