(3R,4R)-1-[(E)-2-methylbut-2-enyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(E)-2-methylbut-2-enyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(E)-2-methylbut-2-enyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(E)-2-methylbut-2-enyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(E)-2-methylbut-2-enyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-[(E)-2-methylbut-2-enyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol Formula: C19H33N4O+3 MolecularWeight: 333.49152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C[NH+]1CCC(C(C1)O)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C/C=C(\C)/C[NH+]1CC[C@H]([C@@H](C1)O)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H30N4O/c1-3-16(2)14-21-9-7-17(18(24)15-21)22-10-12-23(13-11-22)19-6-4-5-8-20-19/h3-6,8,17-18,24H,7,9-15H2,1-2H3/p+3/b16-3+/t17-,18-/m1/s1