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(3R)-N-cyclopropyl-1-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide
(3R)-N-cyclopropyl-1-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide
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Descriptors Computed from Structure
Canonical SMILES:
CCOC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCCC(C3)C(=O)NC4CC4
Isomeric SMILES
CCOC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCC[C@H](C3)C(=O)NC4CC4
InChI
InChI=1S/C23H35N3O2/c1-2-28-22-8-4-3-6-18(22)16-25-14-11-21(12-15-25)26-13-5-7-19(17-26)23(27)24-20-9-10-20/h3-4,6,8,19-21H,2,5,7,9-17H2,1H3,(H,24,27)/p+2/t19-/m1/s1
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