3-[3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-1,4-benzoxazin-2-one

Systemtic Name: 3-[3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-1,4-benzoxazin-2-one Openeye Name: 3-[3-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]-1,4-benzoxazin-2-one CAS Name: 3-[3-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]-1,4-benzoxazin-2-one IUPAC Name: 3-[3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]-1,4-benzoxazin-2-one Traditional Name: 3-[3-keto-3-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]propyl]-1,4-benzoxazin-2-one Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4OC3=O

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4OC3=O

InChI

InChI=1S/C23H25N3O3/c1-17-6-2-3-7-18(17)16-25-12-14-26(15-13-25)22(27)11-10-20-23(28)29-21-9-5-4-8-19(21)24-20/h2-9H,10-16H2,1H3/p+1