ethyl 4-[(3S)-1-(5-methoxyfuran-2-yl)carbonylpiperidin-3-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-(5-methoxyfuran-2-yl)carbonylpiperidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(5-methoxyfuran-2-carbonyl)-3-piperidyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3S)-1-[(5-methoxy-2-furanyl)-oxomethyl]-3-piperidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(5-methoxyfuran-2-carbonyl)piperidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3S)-1-(5-methoxy-2-furoyl)-3-piperidyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H28N3O5+ MolecularWeight: 366.43202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CCCN(C2)C(=O)C3=CC=C(O3)OC

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H]2CCCN(C2)C(=O)C3=CC=C(O3)OC

InChI

InChI=1S/C18H27N3O5/c1-3-25-18(23)20-11-9-19(10-12-20)14-5-4-8-21(13-14)17(22)15-6-7-16(24-2)26-15/h6-7,14H,3-5,8-13H2,1-2H3/p+1/t14-/m0/s1