(3R,4R)-4-(azepan-1-ium-1-yl)-1-(3-methylbut-2-enyl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(3-methylbut-2-enyl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(3-methylbut-2-enyl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-(3-methylbut-2-enyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(3-methylbut-2-enyl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(3-methylbut-2-enyl)piperidin-1-ium-3-ol Formula: C16H32N2O+2 MolecularWeight: 268.43808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH+]1CCC(C(C1)O)[NH+]2CCCCCC2)C

Isomeric SMILES

CC(=CC[NH+]1CC[C@H]([C@@H](C1)O)[NH+]2CCCCCC2)C

InChI

InChI=1S/C16H30N2O/c1-14(2)7-11-17-12-8-15(16(19)13-17)18-9-5-3-4-6-10-18/h7,15-16,19H,3-6,8-13H2,1-2H3/p+2/t15-,16-/m1/s1