4-[(2S)-2-ethyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-1,3-thiazol-2-amine

Systemtic Name: 4-[(2S)-2-ethyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-1,3-thiazol-2-amine Openeye Name: 4-[(2S)-2-ethyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]thiazol-2-amine CAS Name: 4-[(2S)-2-ethyl-4-[2-(1-pyrrolidin-1-iumyl)ethyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-2-thiazolamine IUPAC Name: 4-[(2S)-2-ethyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-1,3-thiazol-2-amine Traditional Name: [4-[(2S)-2-ethyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]thiazol-2-yl]amine Formula: C19H27N4OS+ MolecularWeight: 359.50888

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C2=C(O1)C=CC(=C2)C3=CSC(=N3)N)CC[NH+]4CCCC4

Isomeric SMILES

CC[C@H]1CN(C2=C(O1)C=CC(=C2)C3=CSC(=N3)N)CC[NH+]4CCCC4

InChI

InChI=1S/C19H26N4OS/c1-2-15-12-23(10-9-22-7-3-4-8-22)17-11-14(5-6-18(17)24-15)16-13-25-19(20)21-16/h5-6,11,13,15H,2-4,7-10,12H2,1H3,(H2,20,21)/p+1/t15-/m0/s1