(2R)-6-azanyl-4-(2-piperidin-1-ium-1-ylethyl)-2-propan-2-yl-1,4-benzoxazin-3-one

Systemtic Name: (2R)-6-azanyl-4-(2-piperidin-1-ium-1-ylethyl)-2-propan-2-yl-1,4-benzoxazin-3-one Openeye Name: (2R)-6-amino-2-isopropyl-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one CAS Name: (2R)-6-amino-4-[2-(1-piperidin-1-iumyl)ethyl]-2-propan-2-yl-1,4-benzoxazin-3-one IUPAC Name: (2R)-6-amino-4-(2-piperidin-1-ium-1-ylethyl)-2-propan-2-yl-1,4-benzoxazin-3-one Traditional Name: (2R)-6-amino-2-isopropyl-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C2=C(O1)C=CC(=C2)N)CC[NH+]3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2/c1-13(2)17-18(22)21(11-10-20-8-4-3-5-9-20)15-12-14(19)6-7-16(15)23-17/h6-7,12-13,17H,3-5,8-11,19H2,1-2H3/p+1/t17-/m1/s1