1-[(E)-2-methyl-3-phenyl-prop-2-enyl]-N-(2-morpholin-4-ium-4-ylethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(E)-2-methyl-3-phenyl-prop-2-enyl]-N-(2-morpholin-4-ium-4-ylethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(E)-2-methyl-3-phenyl-allyl]-N-(2-morpholin-4-ium-4-ylethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-morpholin-4-ium-4-ylethyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[(E)-2-methyl-3-phenyl-allyl]-N-(2-morpholin-4-ium-4-ylethyl)piperidin-1-ium-4-carboxamide Formula: C22H35N3O2+2 MolecularWeight: 373.5322

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C[NH+]2CCC(CC2)C(=O)NCC[NH+]3CCOCC3

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C[NH+]2CCC(CC2)C(=O)NCC[NH+]3CCOCC3

InChI

InChI=1S/C22H33N3O2/c1-19(17-20-5-3-2-4-6-20)18-25-10-7-21(8-11-25)22(26)23-9-12-24-13-15-27-16-14-24/h2-6,17,21H,7-16,18H2,1H3,(H,23,26)/p+2/b19-17+