ethyl 4-[(3S)-3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3S)-3-(2-hydroxyethyl)-4-[(5-methyl-2-furyl)methyl]piperazin-4-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[(3S)-3-(2-hydroxyethyl)-4-[(5-methyl-2-furanyl)methyl]-1-piperazin-4-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(3S)-3-(2-hydroxyethyl)-4-[(5-methyl-2-furyl)methyl]piperazin-4-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C20H34N3O4+ MolecularWeight: 380.50166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2CC[NH+](C(C2)CCO)CC3=CC=C(O3)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2CC[NH+]([C@H](C2)CCO)CC3=CC=C(O3)C

InChI

InChI=1S/C20H33N3O4/c1-3-26-20(25)21-9-6-17(7-10-21)22-11-12-23(18(14-22)8-13-24)15-19-5-4-16(2)27-19/h4-5,17-18,24H,3,6-15H2,1-2H3/p+1/t18-/m0/s1