2-[(2R,4R)-4-(3-methylbutyl)-2-propan-2-yl-oxan-4-yl]ethyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: 2-[(2R,4R)-4-(3-methylbutyl)-2-propan-2-yl-oxan-4-yl]ethyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: 2-[(2R,4R)-4-isopentyl-2-isopropyl-tetrahydropyran-4-yl]ethyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: 2-[(2R,4R)-4-(3-methylbutyl)-2-propan-2-yl-4-oxanyl]ethyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: 2-[(2R,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]ethyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: 2-[(2R,4R)-4-isoamyl-2-isopropyl-tetrahydropyran-4-yl]ethyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C21H44N2O+2 MolecularWeight: 340.58686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CCOC(C1)C(C)C)CC[NH2+]C2CC[NH+](CC2)C

Isomeric SMILES

CC(C)CC[C@]1(CCO[C@H](C1)C(C)C)CC[NH2+]C2CC[NH+](CC2)C

InChI

InChI=1S/C21H42N2O/c1-17(2)6-9-21(11-15-24-20(16-21)18(3)4)10-12-22-19-7-13-23(5)14-8-19/h17-20,22H,6-16H2,1-5H3/p+2/t20-,21-/m1/s1