N-[2-(cyclohexen-1-yl)ethyl]-1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-1-[1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-1-[1-[(6-methyl-2-pyridinyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-1-[1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Formula: C26H42N4O+2 MolecularWeight: 426.63788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCCC4=CCCCC4

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCCC4=CCCCC4

InChI

InChI=1S/C26H40N4O/c1-21-6-5-9-24(28-21)20-29-16-13-25(14-17-29)30-18-11-23(12-19-30)26(31)27-15-10-22-7-3-2-4-8-22/h5-7,9,23,25H,2-4,8,10-20H2,1H3,(H,27,31)/p+2