ethyl 4-[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H28N3O3S+ MolecularWeight: 378.50892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)N2CCC(SC3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)N2CC[C@H](SC3=CC=CC=C32)C

InChI

InChI=1S/C19H27N3O3S/c1-3-25-19(24)21-12-10-20(11-13-21)14-18(23)22-9-8-15(2)26-17-7-5-4-6-16(17)22/h4-7,15H,3,8-14H2,1-2H3/p+1/t15-/m1/s1