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

Systemtic Name: (3S)-N-[(1-oxidanylcyclohexyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[(1-hydroxycyclohexyl)methyl]-1-(1-isopropyl-4-piperidyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[(1-hydroxycyclohexyl)methyl]-1-(1-propan-2-yl-4-piperidinyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[(1-hydroxycyclohexyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[(1-hydroxycyclohexyl)methyl]-1-(1-isopropyl-4-piperidyl)piperidin-1-ium-3-carboxamide Formula: C21H40N3O2+ MolecularWeight: 366.5612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCC3(CCCCC3)O

Isomeric SMILES

CC(C)N1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NCC3(CCCCC3)O

InChI

InChI=1S/C21H39N3O2/c1-17(2)23-13-8-19(9-14-23)24-12-6-7-18(15-24)20(25)22-16-21(26)10-4-3-5-11-21/h17-19,26H,3-16H2,1-2H3,(H,22,25)/p+1/t18-/m0/s1