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

Systemtic Name: 4-[4-(2-pyrrolidin-1-ium-1-ylethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-1,3-thiazol-2-amine Openeye Name: 4-[4-(2-pyrrolidin-1-ium-1-ylethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]thiazol-2-amine CAS Name: 4-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-2-thiazolamine IUPAC Name: 4-[4-(2-pyrrolidin-1-ium-1-ylethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-1,3-thiazol-2-amine Traditional Name: [4-[4-(2-pyrrolidin-1-ium-1-ylethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]thiazol-2-yl]amine Formula: C17H23N4OS+ MolecularWeight: 331.45572

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2CCOC3=C2C=C(C=C3)C4=CSC(=N4)N

Isomeric SMILES

C1CC[NH+](C1)CCN2CCOC3=C2C=C(C=C3)C4=CSC(=N4)N

InChI

InChI=1S/C17H22N4OS/c18-17-19-14(12-23-17)13-3-4-16-15(11-13)21(9-10-22-16)8-7-20-5-1-2-6-20/h3-4,11-12H,1-2,5-10H2,(H2,18,19)/p+1