1-[1-[(E)-4-methylpent-2-enyl]piperidin-1-ium-4-yl]-N-phenethyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-[(E)-4-methylpent-2-enyl]piperidin-1-ium-4-yl]-N-phenethyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-[(E)-4-methylpent-2-enyl]piperidin-1-ium-4-yl]-N-phenethyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[(E)-4-methylpent-2-enyl]-4-piperidin-1-iumyl]-N-phenethyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-[(E)-4-methylpent-2-enyl]piperidin-1-ium-4-yl]-N-phenethylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[1-[(E)-4-methylpent-2-enyl]piperidin-1-ium-4-yl]-N-phenethyl-piperidin-1-ium-4-carboxamide Formula: C25H41N3O+2 MolecularWeight: 399.61254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=CC[NH+]1CCC(CC1)[NH+]2CCC(CC2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(C)/C=C/C[NH+]1CCC(CC1)[NH+]2CCC(CC2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C25H39N3O/c1-21(2)7-6-16-27-17-13-24(14-18-27)28-19-11-23(12-20-28)25(29)26-15-10-22-8-4-3-5-9-22/h3-9,21,23-24H,10-20H2,1-2H3,(H,26,29)/p+2/b7-6+