(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(1-isopropylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[2-(1-cyclohexenyl)ethyl]-1-(1-propan-2-yl-4-piperidin-1-iumyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(1-isopropylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Formula: C22H41N3O+2 MolecularWeight: 363.58044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCCC3=CCCCC3

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NCCC3=CCCCC3

InChI

InChI=1S/C22H39N3O/c1-18(2)24-15-11-21(12-16-24)25-14-6-9-20(17-25)22(26)23-13-10-19-7-4-3-5-8-19/h7,18,20-21H,3-6,8-17H2,1-2H3,(H,23,26)/p+2/t20-/m0/s1