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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C2=C(O1)C=CC(=C2)N)CC[NH+]3CCCC3

Isomeric SMILES

CC[C@H]1CN(C2=C(O1)C=CC(=C2)N)CC[NH+]3CCCC3

InChI

InChI=1S/C16H25N3O/c1-2-14-12-19(10-9-18-7-3-4-8-18)15-11-13(17)5-6-16(15)20-14/h5-6,11,14H,2-4,7-10,12,17H2,1H3/p+1/t14-/m0/s1