ethyl 2-[3-(3-morpholin-4-ium-4-ylpropyl)-2-(phenylmethyl)imino-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[3-(3-morpholin-4-ium-4-ylpropyl)-2-(phenylmethyl)imino-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-benzylimino-3-(3-morpholin-4-ium-4-ylpropyl)thiazol-4-yl]acetate CAS Name: 2-[3-[3-(4-morpholin-4-iumyl)propyl]-2-(phenylmethyl)imino-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-benzylimino-3-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-benzylimino-3-(3-morpholin-4-ium-4-ylpropyl)-4-thiazolin-4-yl]acetic acid ethyl ester Formula: C21H30N3O3S+ MolecularWeight: 404.5462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=NCC2=CC=CC=C2)N1CCC[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)CC1=CSC(=NCC2=CC=CC=C2)N1CCC[NH+]3CCOCC3

InChI

InChI=1S/C21H29N3O3S/c1-2-27-20(25)15-19-17-28-21(22-16-18-7-4-3-5-8-18)24(19)10-6-9-23-11-13-26-14-12-23/h3-5,7-8,17H,2,6,9-16H2,1H3/p+1