2,2-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-3H-1,4-benzoxazin-6-amine

Systemtic Name: 2,2-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-3H-1,4-benzoxazin-6-amine Openeye Name: 2,2-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-3H-1,4-benzoxazin-6-amine CAS Name: 2,2-dimethyl-4-[2-(1-pyrrolidin-1-iumyl)ethyl]-3H-1,4-benzoxazin-6-amine IUPAC Name: 2,2-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-3H-1,4-benzoxazin-6-amine Traditional Name: [2,2-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-3H-1,4-benzoxazin-6-yl]amine Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C2=C(O1)C=CC(=C2)N)CC[NH+]3CCCC3)C

Isomeric SMILES

CC1(CN(C2=C(O1)C=CC(=C2)N)CC[NH+]3CCCC3)C

InChI

InChI=1S/C16H25N3O/c1-16(2)12-19(10-9-18-7-3-4-8-18)14-11-13(17)5-6-15(14)20-16/h5-6,11H,3-4,7-10,12,17H2,1-2H3/p+1