(4-cyclohexylpiperazin-4-ium-1-yl)-[(5S)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]methanone

Systemtic Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[(5S)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]methanone Openeye Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[(5S)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]methanone CAS Name: (4-cyclohexyl-1-piperazin-4-iumyl)-[(5S)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]methanone IUPAC Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[(5S)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]methanone Traditional Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[(5S)-5-methyl-4,5,6,7-tetrahydroindoxazen-3-yl]methanone Formula: C19H30N3O2+ MolecularWeight: 332.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=NO2)C(=O)N3CC[NH+](CC3)C4CCCCC4

Isomeric SMILES

C[C@H]1CCC2=C(C1)C(=NO2)C(=O)N3CC[NH+](CC3)C4CCCCC4

InChI

InChI=1S/C19H29N3O2/c1-14-7-8-17-16(13-14)18(20-24-17)19(23)22-11-9-21(10-12-22)15-5-3-2-4-6-15/h14-15H,2-13H2,1H3/p+1/t14-/m0/s1