[(1S)-1-[3-oxidanylidene-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-6-yl]propyl]azanium

Systemtic Name: [(1S)-1-[3-oxidanylidene-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-[3-oxo-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1S)-1-[3-oxo-4-[2-(1-piperidin-1-iumyl)ethyl]-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[3-oxo-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-[3-keto-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-6-yl]propyl]ammonium Formula: C18H29N3O2+2 MolecularWeight: 319.44176

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)OCC(=O)N2CC[NH+]3CCCCC3)[NH3+]

Isomeric SMILES

CC[C@@H](C1=CC2=C(C=C1)OCC(=O)N2CC[NH+]3CCCCC3)[NH3+]

InChI

InChI=1S/C18H27N3O2/c1-2-15(19)14-6-7-17-16(12-14)21(18(22)13-23-17)11-10-20-8-4-3-5-9-20/h6-7,12,15H,2-5,8-11,13,19H2,1H3/p+2/t15-/m0/s1