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

Systemtic Name: (2S)-2-ethyl-4-(2-piperidin-1-ium-1-ylethyl)-2,3-dihydro-1,4-benzoxazin-6-amine Openeye Name: (2S)-2-ethyl-4-(2-piperidin-1-ium-1-ylethyl)-2,3-dihydro-1,4-benzoxazin-6-amine CAS Name: (2S)-2-ethyl-4-[2-(1-piperidin-1-iumyl)ethyl]-2,3-dihydro-1,4-benzoxazin-6-amine IUPAC Name: (2S)-2-ethyl-4-(2-piperidin-1-ium-1-ylethyl)-2,3-dihydro-1,4-benzoxazin-6-amine Traditional Name: [(2S)-2-ethyl-4-(2-piperidin-1-ium-1-ylethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]amine Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C2=C(O1)C=CC(=C2)N)CC[NH+]3CCCCC3

Isomeric SMILES

CC[C@H]1CN(C2=C(O1)C=CC(=C2)N)CC[NH+]3CCCCC3

InChI

InChI=1S/C17H27N3O/c1-2-15-13-20(11-10-19-8-4-3-5-9-19)16-12-14(18)6-7-17(16)21-15/h6-7,12,15H,2-5,8-11,13,18H2,1H3/p+1/t15-/m0/s1