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

Systemtic Name: ethyl 4-[(3S)-1-[5-(methylsulfanylmethyl)furan-2-yl]carbonylpiperidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]-3-piperidyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3S)-1-[[5-[(methylthio)methyl]-2-furanyl]-oxomethyl]-3-piperidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3S)-1-[5-[(methylthio)methyl]-2-furoyl]-3-piperidyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H30N3O4S+ MolecularWeight: 396.5242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O4S/c1-3-25-19(24)21-11-9-20(10-12-21)15-5-4-8-22(13-15)18(23)17-7-6-16(26-17)14-27-2/h6-7,15H,3-5,8-14H2,1-2H3/p+1/t15-/m0/s1