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

Systemtic Name: [(1S)-1-[(2R)-2-methyl-3-oxidanylidene-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-[(2R)-2-methyl-3-oxo-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1S)-1-[(2R)-2-methyl-3-oxo-4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[(2R)-2-methyl-3-oxo-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-[(2R)-3-keto-2-methyl-4-(2-pyrrolidin-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)OC(C(=O)N2CC[NH+]3CCCC3)C)[NH3+]

Isomeric SMILES

CC[C@@H](C1=CC2=C(C=C1)O[C@@H](C(=O)N2CC[NH+]3CCCC3)C)[NH3+]

InChI

InChI=1S/C18H27N3O2/c1-3-15(19)14-6-7-17-16(12-14)21(18(22)13(2)23-17)11-10-20-8-4-5-9-20/h6-7,12-13,15H,3-5,8-11,19H2,1-2H3/p+2/t13-,15+/m1/s1