methyl (2S,4S)-4-(cyclohexylcarbonylamino)-1-(1-ethylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-(cyclohexylcarbonylamino)-1-(1-ethylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-(cyclohexanecarbonylamino)-1-(1-ethylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-[[cyclohexyl(oxo)methyl]amino]-1-(1-ethyl-4-piperidin-1-iumyl)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(cyclohexanecarbonylamino)-1-(1-ethylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-(cyclohexanecarbonylamino)-1-(1-ethylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C20H37N3O3+2 MolecularWeight: 367.52608

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)[NH+]2CC(CC2C(=O)OC)NC(=O)C3CCCCC3

Isomeric SMILES

CC[NH+]1CCC(CC1)[NH+]2C[C@H](C[C@H]2C(=O)OC)NC(=O)C3CCCCC3

InChI

InChI=1S/C20H35N3O3/c1-3-22-11-9-17(10-12-22)23-14-16(13-18(23)20(25)26-2)21-19(24)15-7-5-4-6-8-15/h15-18H,3-14H2,1-2H3,(H,21,24)/p+2/t16-,18-/m0/s1