(2S)-7-azanyl-2-phenyl-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one

Systemtic Name: (2S)-7-azanyl-2-phenyl-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Openeye Name: (2S)-7-amino-2-phenyl-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one CAS Name: (2S)-7-amino-2-phenyl-4-[2-(1-piperidin-1-iumyl)ethyl]-1,4-benzoxazin-3-one IUPAC Name: (2S)-7-amino-2-phenyl-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Traditional Name: (2S)-7-amino-2-phenyl-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=C(C=C(C=C3)N)OC(C2=O)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=C(C=C(C=C3)N)O[C@H](C2=O)C4=CC=CC=C4

InChI

InChI=1S/C21H25N3O2/c22-17-9-10-18-19(15-17)26-20(16-7-3-1-4-8-16)21(25)24(18)14-13-23-11-5-2-6-12-23/h1,3-4,7-10,15,20H,2,5-6,11-14,22H2/p+1/t20-/m0/s1