ethyl 4-[[(3S)-3-(2-hydroxyethyl)-4-(1-propan-2-ylpiperidin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 4-[[(3S)-3-(2-hydroxyethyl)-4-(1-propan-2-ylpiperidin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-[[(3S)-3-(2-hydroxyethyl)-4-(1-isopropylpiperidin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]-1H-pyrazole-5-carboxylate CAS Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-(1-propan-2-yl-4-piperidin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(3S)-3-(2-hydroxyethyl)-4-(1-propan-2-ylpiperidin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]-1H-pyrazole-5-carboxylate Traditional Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-(1-isopropylpiperidin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C21H39N5O3+2 MolecularWeight: 409.56606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)C[NH+]2CCN(C(C2)CCO)C3CC[NH+](CC3)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)C[NH+]2CCN([C@H](C2)CCO)C3CC[NH+](CC3)C(C)C

InChI

InChI=1S/C21H37N5O3/c1-4-29-21(28)20-17(13-22-23-20)14-24-10-11-26(19(15-24)7-12-27)18-5-8-25(9-6-18)16(2)3/h13,16,18-19,27H,4-12,14-15H2,1-3H3,(H,22,23)/p+2/t19-/m0/s1