2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]ethanamide

Systemtic Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C21H36N4O+2 MolecularWeight: 360.53674

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CC(CC(C3)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3C[C@@H](C[C@H](C3)C)C

InChI

InChI=1S/C21H34N4O/c1-4-23-9-11-25(12-10-23)20-7-5-19(6-8-20)22-21(26)16-24-14-17(2)13-18(3)15-24/h5-8,17-18H,4,9-16H2,1-3H3,(H,22,26)/p+2/t17-,18-/m1/s1