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

Systemtic Name: [(1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium Openeye Name: [(1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-(1-isopropylpiperidin-1-ium-4-yl)ammonium CAS Name: [(1S)-1-[2-(1-azocanyl)-4-methyl-5-pyrimidinyl]ethyl]-(1-propan-2-yl-4-piperidin-1-iumyl)ammonium IUPAC Name: [(1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium Traditional Name: [(1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-(1-isopropylpiperidin-1-ium-4-yl)ammonium Formula: C22H41N5+2 MolecularWeight: 375.59444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(C)[NH2+]C2CC[NH+](CC2)C(C)C)N3CCCCCCC3

Isomeric SMILES

CC1=NC(=NC=C1[C@H](C)[NH2+]C2CC[NH+](CC2)C(C)C)N3CCCCCCC3

InChI

InChI=1S/C22H39N5/c1-17(2)26-14-10-20(11-15-26)24-18(3)21-16-23-22(25-19(21)4)27-12-8-6-5-7-9-13-27/h16-18,20,24H,5-15H2,1-4H3/p+2/t18-/m0/s1