methanesulfonate; 7-[4-(phenylmethyl)piperazin-1-yl]-3H-1,3-benzoxazol-3-ium-2-one

Systemtic Name: methanesulfonate; 7-[4-(phenylmethyl)piperazin-1-yl]-3H-1,3-benzoxazol-3-ium-2-one Openeye Name: 7-(4-benzylpiperazin-1-yl)-3H-1,3-benzoxazol-3-ium-2-one; methanesulfonate CAS Name: methanesulfonate; 7-[4-(phenylmethyl)-1-piperazinyl]-3H-1,3-benzoxazol-3-ium-2-one IUPAC Name: 7-(4-benzylpiperazin-1-yl)-3H-1,3-benzoxazol-3-ium-2-one; methanesulfonate Traditional Name: 7-(4-benzylpiperazino)-3H-1,3-benzoxazol-3-ium-2-one mesylate Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1CN(CCN1CC2=CC=CC=C2)C3=C4C(=CC=C3)[NH2+]C(=O)O4

Isomeric SMILES

CS(=O)(=O)[O-].C1CN(CCN1CC2=CC=CC=C2)C3=C4C(=CC=C3)[NH2+]C(=O)O4

InChI

InChI=1S/C18H19N3O2.CH4O3S/c22-18-19-15-7-4-8-16(17(15)23-18)21-11-9-20(10-12-21)13-14-5-2-1-3-6-14;1-5(2,3)4/h1-8H,9-13H2,(H,19,22);1H3,(H,2,3,4)